3830
3837
#. i18n: file: src/extensions/quantuminput/daltoninputdialog.ui:425
3831
3838
#. i18n: ectx: property (text), item, widget (QComboBox, stoCombo)
3832
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:67
3839
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:70
3833
3840
#. i18n: ectx: property (text), item, widget (QComboBox, basicWithRightCombo)
3834
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:576
3841
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:603
3835
3842
#. i18n: ectx: property (text), item, widget (QComboBox, basisSetCombo)
3836
#. i18n: file: src/extensions/quantuminput/gaussianinputdialog.ui:213
3837
#. i18n: ectx: property (text), item, widget (QComboBox, basisCombo)
3838
#. i18n: file: src/extensions/quantuminput/molproinputdialog.ui:192
3839
#. i18n: ectx: property (text), item, widget (QComboBox, basisCombo)
3840
#. i18n: file: src/extensions/quantuminput/nwcheminputdialog.ui:187
3841
#. i18n: ectx: property (text), item, widget (QComboBox, basisCombo)
3842
#. i18n: file: src/extensions/quantuminput/qcheminputdialog.ui:202
3843
#. i18n: file: src/extensions/quantuminput/gamessukinputdialog.ui:134
3844
#. i18n: ectx: property (text), item, widget (QComboBox, basisCombo)
3845
#. i18n: file: src/extensions/quantuminput/gaussianinputdialog.ui:217
3846
#. i18n: ectx: property (text), item, widget (QComboBox, basisCombo)
3847
#. i18n: file: src/extensions/quantuminput/molproinputdialog.ui:195
3848
#. i18n: ectx: property (text), item, widget (QComboBox, basisCombo)
3849
#. i18n: file: src/extensions/quantuminput/nwcheminputdialog.ui:190
3850
#. i18n: ectx: property (text), item, widget (QComboBox, basisCombo)
3851
#. i18n: file: src/extensions/quantuminput/qcheminputdialog.ui:205
3843
3852
#. i18n: ectx: property (text), item, widget (QComboBox, basisCombo)
3847
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:72
3856
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:75
3848
3857
#. i18n: ectx: property (text), item, widget (QComboBox, basicWithRightCombo)
3849
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:561
3858
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:588
3850
3859
#. i18n: ectx: property (text), item, widget (QComboBox, basisSetCombo)
3854
3863
#. i18n: file: src/extensions/quantuminput/daltoninputdialog.ui:448
3855
3864
#. i18n: ectx: property (text), item, widget (QComboBox, popleCombo)
3856
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:77
3865
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:80
3857
3866
#. i18n: ectx: property (text), item, widget (QComboBox, basicWithRightCombo)
3858
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:596
3867
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:623
3859
3868
#. i18n: ectx: property (text), item, widget (QComboBox, basisSetCombo)
3860
#. i18n: file: src/extensions/quantuminput/gaussianinputdialog.ui:218
3861
#. i18n: ectx: property (text), item, widget (QComboBox, basisCombo)
3862
#. i18n: file: src/extensions/quantuminput/molproinputdialog.ui:197
3863
#. i18n: ectx: property (text), item, widget (QComboBox, basisCombo)
3864
#. i18n: file: src/extensions/quantuminput/nwcheminputdialog.ui:192
3865
#. i18n: ectx: property (text), item, widget (QComboBox, basisCombo)
3866
#. i18n: file: src/extensions/quantuminput/qcheminputdialog.ui:207
3869
#. i18n: file: src/extensions/quantuminput/gamessukinputdialog.ui:139
3870
#. i18n: ectx: property (text), item, widget (QComboBox, basisCombo)
3871
#. i18n: file: src/extensions/quantuminput/gaussianinputdialog.ui:222
3872
#. i18n: ectx: property (text), item, widget (QComboBox, basisCombo)
3873
#. i18n: file: src/extensions/quantuminput/molproinputdialog.ui:200
3874
#. i18n: ectx: property (text), item, widget (QComboBox, basisCombo)
3875
#. i18n: file: src/extensions/quantuminput/nwcheminputdialog.ui:195
3876
#. i18n: ectx: property (text), item, widget (QComboBox, basisCombo)
3877
#. i18n: file: src/extensions/quantuminput/qcheminputdialog.ui:210
3867
3878
#. i18n: ectx: property (text), item, widget (QComboBox, basisCombo)
3871
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:82
3882
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:85
3872
3883
#. i18n: ectx: property (text), item, widget (QComboBox, basicWithRightCombo)
3873
#. i18n: file: src/extensions/quantuminput/gaussianinputdialog.ui:223
3874
#. i18n: ectx: property (text), item, widget (QComboBox, basisCombo)
3875
#. i18n: file: src/extensions/quantuminput/molproinputdialog.ui:202
3876
#. i18n: ectx: property (text), item, widget (QComboBox, basisCombo)
3877
#. i18n: file: src/extensions/quantuminput/nwcheminputdialog.ui:197
3878
#. i18n: ectx: property (text), item, widget (QComboBox, basisCombo)
3879
#. i18n: file: src/extensions/quantuminput/qcheminputdialog.ui:212
3884
#. i18n: file: src/extensions/quantuminput/gamessukinputdialog.ui:144
3885
#. i18n: ectx: property (text), item, widget (QComboBox, basisCombo)
3886
#. i18n: file: src/extensions/quantuminput/gaussianinputdialog.ui:227
3887
#. i18n: ectx: property (text), item, widget (QComboBox, basisCombo)
3888
#. i18n: file: src/extensions/quantuminput/molproinputdialog.ui:205
3889
#. i18n: ectx: property (text), item, widget (QComboBox, basisCombo)
3890
#. i18n: file: src/extensions/quantuminput/nwcheminputdialog.ui:200
3891
#. i18n: ectx: property (text), item, widget (QComboBox, basisCombo)
3892
#. i18n: file: src/extensions/quantuminput/qcheminputdialog.ui:215
3880
3893
#. i18n: ectx: property (text), item, widget (QComboBox, basisCombo)
3881
3894
msgid "6-31G(d)"
3884
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:87
3897
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:90
3885
3898
#. i18n: ectx: property (text), item, widget (QComboBox, basicWithRightCombo)
3886
#. i18n: file: src/extensions/quantuminput/gaussianinputdialog.ui:228
3887
#. i18n: ectx: property (text), item, widget (QComboBox, basisCombo)
3888
#. i18n: file: src/extensions/quantuminput/molproinputdialog.ui:207
3889
#. i18n: ectx: property (text), item, widget (QComboBox, basisCombo)
3890
#. i18n: file: src/extensions/quantuminput/nwcheminputdialog.ui:202
3891
#. i18n: ectx: property (text), item, widget (QComboBox, basisCombo)
3892
#. i18n: file: src/extensions/quantuminput/qcheminputdialog.ui:217
3899
#. i18n: file: src/extensions/quantuminput/gamessukinputdialog.ui:149
3900
#. i18n: ectx: property (text), item, widget (QComboBox, basisCombo)
3901
#. i18n: file: src/extensions/quantuminput/gaussianinputdialog.ui:232
3902
#. i18n: ectx: property (text), item, widget (QComboBox, basisCombo)
3903
#. i18n: file: src/extensions/quantuminput/molproinputdialog.ui:210
3904
#. i18n: ectx: property (text), item, widget (QComboBox, basisCombo)
3905
#. i18n: file: src/extensions/quantuminput/nwcheminputdialog.ui:205
3906
#. i18n: ectx: property (text), item, widget (QComboBox, basisCombo)
3907
#. i18n: file: src/extensions/quantuminput/qcheminputdialog.ui:220
3893
3908
#. i18n: ectx: property (text), item, widget (QComboBox, basisCombo)
3894
3909
msgid "6-31G(d,p)"
3897
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:92
3912
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:95
3898
3913
#. i18n: ectx: property (text), item, widget (QComboBox, basicWithRightCombo)
3899
3914
msgid "6-31+G(d,p)"
3902
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:97
3917
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:100
3903
3918
#. i18n: ectx: property (text), item, widget (QComboBox, basicWithRightCombo)
3904
3919
msgid "6-31+G(2d,p)"
3907
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:102
3922
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:105
3908
3923
#. i18n: ectx: property (text), item, widget (QComboBox, basicWithRightCombo)
3909
3924
msgid "6-311++G(2d,p)"
3912
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:107
3927
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:110
3913
3928
#. i18n: ectx: property (text), item, widget (QComboBox, basicWithRightCombo)
3914
3929
msgid "Core Potential"
3917
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:133
3932
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:136
3918
3933
#. i18n: ectx: property (text), item, widget (QComboBox, basicOnLeftCombo)
3919
#. i18n: file: src/extensions/quantuminput/mopacinputdialog.ui:143
3934
#. i18n: file: src/extensions/quantuminput/mopacinputdialog.ui:144
3920
3935
#. i18n: ectx: property (text), item, widget (QComboBox, multiplicityCombo)
3921
3936
msgid "Singlet"
3924
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:138
3939
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:141
3925
3940
#. i18n: ectx: property (text), item, widget (QComboBox, basicOnLeftCombo)
3926
#. i18n: file: src/extensions/quantuminput/mopacinputdialog.ui:148
3941
#. i18n: file: src/extensions/quantuminput/mopacinputdialog.ui:149
3927
3942
#. i18n: ectx: property (text), item, widget (QComboBox, multiplicityCombo)
3928
3943
msgid "Doublet"
3931
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:143
3946
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:146
3932
3947
#. i18n: ectx: property (text), item, widget (QComboBox, basicOnLeftCombo)
3933
#. i18n: file: src/extensions/quantuminput/mopacinputdialog.ui:153
3948
#. i18n: file: src/extensions/quantuminput/mopacinputdialog.ui:154
3934
3949
#. i18n: ectx: property (text), item, widget (QComboBox, multiplicityCombo)
3935
3950
msgid "Triplet"
3938
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:152
3953
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:310
3939
3954
#. i18n: ectx: property (text), item, widget (QComboBox, basicOnRightCombo)
3940
3955
msgid "Dication"
3943
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:157
3958
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:315
3944
3959
#. i18n: ectx: property (text), item, widget (QComboBox, basicOnRightCombo)
3948
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:162
3963
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:320
3949
3964
#. i18n: ectx: property (text), item, widget (QComboBox, basicOnRightCombo)
3950
3965
msgid "Neutral"
3953
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:167
3968
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:325
3954
3969
#. i18n: ectx: property (text), item, widget (QComboBox, basicOnRightCombo)
3958
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:172
3973
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:330
3959
3974
#. i18n: ectx: property (text), item, widget (QComboBox, basicOnRightCombo)
3960
3975
msgid "Dianion"
3963
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:195
3964
#. i18n: ectx: property (text), widget (QLabel, label_5)
3968
3981
#. i18n: file: src/extensions/quantuminput/daltoninputdialog.ui:137
3969
3982
#. i18n: ectx: property (text), item, widget (QComboBox, calculationCombo)
3970
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:211
3983
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:185
3971
3984
#. i18n: ectx: property (text), item, widget (QComboBox, basicCalculateCombo)
3972
#. i18n: file: src/extensions/quantuminput/gaussianinputdialog.ui:63
3985
#. i18n: file: src/extensions/quantuminput/gamessukinputdialog.ui:67
3986
#. i18n: ectx: property (text), item, widget (QComboBox, calculationCombo)
3987
#. i18n: file: src/extensions/quantuminput/gaussianinputdialog.ui:64
3973
3988
#. i18n: ectx: property (text), item, widget (QComboBox, calculationCombo)
3974
3989
#. i18n: file: src/extensions/quantuminput/molproinputdialog.ui:64
3975
3990
#. i18n: ectx: property (text), item, widget (QComboBox, calculationCombo)
3976
#. i18n: file: src/extensions/quantuminput/mopacinputdialog.ui:63
3991
#. i18n: file: src/extensions/quantuminput/mopacinputdialog.ui:64
3977
3992
#. i18n: ectx: property (text), item, widget (QComboBox, calculationCombo)
3978
3993
#. i18n: file: src/extensions/quantuminput/nwcheminputdialog.ui:64
3979
3994
#. i18n: ectx: property (text), item, widget (QComboBox, calculationCombo)
4007
4024
msgid "Frequencies"
4010
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:252
4027
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:226
4011
4028
#. i18n: ectx: property (text), item, widget (QComboBox, basicInCombo)
4015
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:257
4032
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:231
4016
4033
#. i18n: ectx: property (text), item, widget (QComboBox, basicInCombo)
4020
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:280
4037
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:254
4021
4038
#. i18n: ectx: property (text), widget (QLabel, label)
4022
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2681
4039
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2713
4023
4040
#. i18n: ectx: property (text), widget (QRadioButton, statPointCalculateButton)
4024
#. i18n: file: src/extensions/surfacedialog.ui:335
4041
#. i18n: file: src/extensions/surfaces/surfacedialog.ui:367
4025
4042
#. i18n: ectx: property (text), widget (QPushButton, calculateButton)
4026
4043
msgid "Calculate"
4029
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:290
4046
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:264
4030
4047
#. i18n: ectx: property (text), widget (QLabel, label_2)
4034
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:300
4051
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:274
4035
4052
#. i18n: ectx: property (text), widget (QLabel, label_3)
4039
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:327
4056
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:354
4040
4057
#. i18n: ectx: attribute (title), widget (QWidget, advancedWidget)
4041
4058
msgid "&Advanced Setup"
4044
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:361
4061
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:388
4045
4062
#. i18n: ectx: property (text), widget (QTreeWidget, navigationTree)
4046
4063
msgid "Advanced"
4049
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:366
4066
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:393
4050
4067
#. i18n: ectx: property (text), item, widget (QTreeWidget, navigationTree)
4054
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:371
4071
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:398
4055
4072
#. i18n: ectx: property (text), item, widget (QTreeWidget, navigationTree)
4056
4073
msgid "Control"
4059
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:375
4076
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:402
4060
4077
#. i18n: ectx: property (text), item, widget (QTreeWidget, navigationTree)
4064
4081
#. i18n: file: src/extensions/quantuminput/daltoninputdialog.ui:792
4065
4082
#. i18n: ectx: attribute (title), widget (QWidget, dftTab)
4066
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:380
4083
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:407
4067
4084
#. i18n: ectx: property (text), item, widget (QTreeWidget, navigationTree)
4085
#. i18n: file: src/extensions/quantuminput/gamessukinputdialog.ui:193
4086
#. i18n: ectx: property (text), item, widget (QComboBox, theoryCombo)
4071
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:390
4090
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:417
4072
4091
#. i18n: ectx: property (text), item, widget (QTreeWidget, navigationTree)
4073
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:827
4092
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:859
4074
4093
#. i18n: ectx: property (text), item, widget (QComboBox, controlRunCombo)
4075
4094
msgid "Hessian"
4078
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:395
4097
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:422
4079
4098
#. i18n: ectx: property (text), item, widget (QTreeWidget, navigationTree)
4080
4099
msgid "Stat Point"
4083
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:401
4102
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:428
4084
4103
#. i18n: ectx: property (text), item, widget (QTreeWidget, navigationTree)
4088
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:406
4107
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:433
4089
4108
#. i18n: ectx: property (text), item, widget (QTreeWidget, navigationTree)
4093
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:411
4112
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:438
4094
4113
#. i18n: ectx: property (text), item, widget (QTreeWidget, navigationTree)
4095
4114
msgid "MO Guess"
4098
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:416
4117
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:443
4099
4118
#. i18n: ectx: property (text), item, widget (QTreeWidget, navigationTree)
4103
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:437
4122
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:464
4104
4123
#. i18n: ectx: property (text), widget (QLabel, label_24)
4105
4124
msgid "#D Heavy Atom Polarization Functions:"
4108
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:455
4127
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:482
4109
4128
#. i18n: ectx: property (text), item, widget (QComboBox, basisECPCombo)
4113
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:460
4132
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:487
4114
4133
#. i18n: ectx: property (text), item, widget (QComboBox, basisECPCombo)
4118
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:465
4137
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:492
4119
4138
#. i18n: ectx: property (text), item, widget (QComboBox, basisECPCombo)
4120
4139
msgid "Hay-Wadt"
4123
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:490
4142
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:517
4124
4143
#. i18n: ectx: property (text), widget (QCheckBox, basisSCheck)
4125
4144
msgid "Diffuse S-Shell on Heavy Atoms"
4128
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:497
4147
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:524
4129
4148
#. i18n: ectx: property (text), widget (QCheckBox, basisLCheck)
4130
4149
msgid "Diffuse L-Shell on Heavy Atoms"
4133
4152
#. i18n: file: src/extensions/quantuminput/daltoninputdialog.ui:197
4134
4153
#. i18n: ectx: property (text), widget (QLabel, basis)
4135
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:547
4154
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:574
4136
4155
#. i18n: ectx: property (text), widget (QLabel, label_19)
4156
#. i18n: file: src/extensions/quantuminput/molproinputdialog.ui:176
4157
#. i18n: ectx: property (text), widget (QLabel, label_5)
4137
4158
msgid "Basis Set:"
4140
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:566
4161
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:593
4141
4162
#. i18n: ectx: property (text), item, widget (QComboBox, basisSetCombo)
4145
4166
#. i18n: file: src/extensions/quantuminput/daltoninputdialog.ui:420
4146
4167
#. i18n: ectx: property (text), item, widget (QComboBox, stoCombo)
4147
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:571
4168
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:598
4148
4169
#. i18n: ectx: property (text), item, widget (QComboBox, basisSetCombo)
4152
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:581
4173
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:608
4153
4174
#. i18n: ectx: property (text), item, widget (QComboBox, basisSetCombo)
4157
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:586
4178
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:613
4158
4179
#. i18n: ectx: property (text), item, widget (QComboBox, basisSetCombo)
4162
4183
#. i18n: file: src/extensions/quantuminput/daltoninputdialog.ui:430
4163
4184
#. i18n: ectx: property (text), item, widget (QComboBox, stoCombo)
4164
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:591
4185
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:618
4165
4186
#. i18n: ectx: property (text), item, widget (QComboBox, basisSetCombo)
4169
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:601
4190
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:628
4170
4191
#. i18n: ectx: property (text), item, widget (QComboBox, basisSetCombo)
4174
4195
#. i18n: file: src/extensions/quantuminput/daltoninputdialog.ui:453
4175
4196
#. i18n: ectx: property (text), item, widget (QComboBox, popleCombo)
4176
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:606
4197
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:633
4177
4198
#. i18n: ectx: property (text), item, widget (QComboBox, basisSetCombo)
4181
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:611
4202
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:638
4182
4203
#. i18n: ectx: property (text), item, widget (QComboBox, basisSetCombo)
4186
4207
#. i18n: file: src/extensions/quantuminput/daltoninputdialog.ui:458
4187
4208
#. i18n: ectx: property (text), item, widget (QComboBox, popleCombo)
4188
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:616
4209
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:643
4189
4210
#. i18n: ectx: property (text), item, widget (QComboBox, basisSetCombo)
4193
4214
#. i18n: file: src/extensions/quantuminput/daltoninputdialog.ui:463
4194
4215
#. i18n: ectx: property (text), item, widget (QComboBox, popleCombo)
4195
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:621
4216
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:648
4196
4217
#. i18n: ectx: property (text), item, widget (QComboBox, basisSetCombo)
4200
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:626
4221
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:653
4201
4222
#. i18n: ectx: property (text), item, widget (QComboBox, basisSetCombo)
4202
4223
msgid "Double Zeta Valence"
4205
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:631
4226
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:658
4206
4227
#. i18n: ectx: property (text), item, widget (QComboBox, basisSetCombo)
4207
4228
msgid "Dunning/Hay DZ"
4210
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:636
4231
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:668
4211
4232
#. i18n: ectx: property (text), item, widget (QComboBox, basisSetCombo)
4212
4233
msgid "Triple Zeta Valence"
4215
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:641
4236
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:673
4216
4237
#. i18n: ectx: property (text), item, widget (QComboBox, basisSetCombo)
4217
4238
msgid "McLean/Chandler"
4220
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:646
4241
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:678
4221
4242
#. i18n: ectx: property (text), item, widget (QComboBox, basisSetCombo)
4222
4243
msgid "SBKJA Valence"
4225
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:651
4246
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:683
4226
4247
#. i18n: ectx: property (text), item, widget (QComboBox, basisSetCombo)
4227
4248
msgid "Hay/Wadt Valence"
4230
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:656
4251
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:688
4231
4252
#. i18n: ectx: property (text), item, widget (QComboBox, basisSetCombo)
4232
#. i18n: file: src/extensions/quantuminput/mopacinputdialog.ui:207
4253
#. i18n: file: src/extensions/quantuminput/mopacinputdialog.ui:211
4233
4254
#. i18n: ectx: property (text), item, widget (QComboBox, theoryCombo)
4237
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:703
4258
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:735
4238
4259
#. i18n: ectx: property (text), widget (QLabel, label_22)
4239
4260
msgid "ECP Type:"
4242
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:717
4263
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:749
4243
4264
#. i18n: ectx: property (text), item, widget (QComboBox, basisPolarCombo)
4244
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1843
4265
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1875
4245
4266
#. i18n: ectx: property (text), item, widget (QComboBox, systemDiagonalizationCombo)
4246
4267
msgid "Default"
4249
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:722
4270
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:754
4250
4271
#. i18n: ectx: property (text), item, widget (QComboBox, basisPolarCombo)
4254
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:727
4275
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:759
4255
4276
#. i18n: ectx: property (text), item, widget (QComboBox, basisPolarCombo)
4256
4277
msgid "Pople N311"
4259
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:732
4280
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:764
4260
4281
#. i18n: ectx: property (text), item, widget (QComboBox, basisPolarCombo)
4261
4282
msgid "Dunning"
4264
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:737
4285
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:769
4265
4286
#. i18n: ectx: property (text), item, widget (QComboBox, basisPolarCombo)
4266
4287
msgid "Huzinaga"
4269
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:742
4290
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:774
4270
4291
#. i18n: ectx: property (text), item, widget (QComboBox, basisPolarCombo)
4274
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:750
4295
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:782
4275
4296
#. i18n: ectx: property (text), widget (QLabel, label_20)
4276
4297
msgid "#F Heavy Atom Polarization Functions:"
4279
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:760
4300
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:792
4280
4301
#. i18n: ectx: property (text), widget (QLabel, label_21)
4281
4302
msgid "#light Atom Polarization Functions:"
4284
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:777
4305
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:809
4285
4306
#. i18n: ectx: property (text), widget (QLabel, label_23)
4289
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:807
4310
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:839
4290
4311
#. i18n: ectx: property (text), widget (QLabel, label_30)
4291
4312
msgid "Max SCF Iterations:"
4294
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:822
4315
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:854
4295
4316
#. i18n: ectx: property (text), item, widget (QComboBox, controlRunCombo)
4296
4317
msgid "Gradient"
4299
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:832
4320
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:864
4300
4321
#. i18n: ectx: property (text), item, widget (QComboBox, controlRunCombo)
4301
4322
msgid "Optimization"
4304
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:837
4325
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:869
4305
4326
#. i18n: ectx: property (text), item, widget (QComboBox, controlRunCombo)
4309
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:842
4330
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:874
4310
4331
#. i18n: ectx: property (text), item, widget (QComboBox, controlRunCombo)
4311
4332
msgid "Saddle Point"
4314
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:847
4335
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:879
4315
4336
#. i18n: ectx: property (text), item, widget (QComboBox, controlRunCombo)
4319
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:852
4340
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:884
4320
4341
#. i18n: ectx: property (text), item, widget (QComboBox, controlRunCombo)
4321
4342
msgid "Gradient Extremal"
4324
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:857
4345
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:889
4325
4346
#. i18n: ectx: property (text), item, widget (QComboBox, controlRunCombo)
4329
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:862
4350
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:894
4330
4351
#. i18n: ectx: property (text), item, widget (QComboBox, controlRunCombo)
4331
4352
msgid "Energy Surface"
4334
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:872
4355
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:904
4335
4356
#. i18n: ectx: property (text), item, widget (QComboBox, controlRunCombo)
4336
4357
msgid "Morokuma"
4339
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:877
4360
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:909
4340
4361
#. i18n: ectx: property (text), item, widget (QComboBox, controlRunCombo)
4341
4362
msgid "Radiative Transition mom."
4344
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:882
4365
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:914
4345
4366
#. i18n: ectx: property (text), item, widget (QComboBox, controlRunCombo)
4346
4367
msgid "Spin Orbit"
4349
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:887
4370
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:919
4350
4371
#. i18n: ectx: property (text), item, widget (QComboBox, controlRunCombo)
4351
4372
msgid "Finite Electric Field"
4354
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:892
4375
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:924
4355
4376
#. i18n: ectx: property (text), item, widget (QComboBox, controlRunCombo)
4359
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:897
4380
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:929
4360
4381
#. i18n: ectx: property (text), item, widget (QComboBox, controlRunCombo)
4361
4382
msgid "Global Optimization"
4364
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:902
4385
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:934
4365
4386
#. i18n: ectx: property (text), item, widget (QComboBox, controlRunCombo)
4369
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:907
4390
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:939
4370
4391
#. i18n: ectx: property (text), item, widget (QComboBox, controlRunCombo)
4371
4392
msgid "FMO Optimization"
4374
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:912
4395
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:944
4375
4396
#. i18n: ectx: property (text), item, widget (QComboBox, controlRunCombo)
4376
4397
msgid "Raman Intensities"
4379
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:917
4400
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:949
4380
4401
#. i18n: ectx: property (text), item, widget (QComboBox, controlRunCombo)
4384
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:922
4405
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:954
4385
4406
#. i18n: ectx: property (text), item, widget (QComboBox, controlRunCombo)
4386
4407
msgid "Make EFP"
4389
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:953
4410
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:985
4390
4411
#. i18n: ectx: property (text), item, widget (QComboBox, controlSCFCombo)
4394
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:958
4415
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:990
4395
4416
#. i18n: ectx: property (text), item, widget (QComboBox, controlSCFCombo)
4399
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:963
4420
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:995
4400
4421
#. i18n: ectx: property (text), item, widget (QComboBox, controlSCFCombo)
4404
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:968
4425
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1000
4405
4426
#. i18n: ectx: property (text), item, widget (QComboBox, controlSCFCombo)
4409
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:973
4430
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1005
4410
4431
#. i18n: ectx: property (text), item, widget (QComboBox, controlSCFCombo)
4411
4432
msgid "None (CI)"
4414
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1004
4435
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1036
4415
4436
#. i18n: ectx: property (text), item, widget (QComboBox, controlLocalizationCombo)
4416
4437
msgid "Foster-Boys"
4419
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1009
4440
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1041
4420
4441
#. i18n: ectx: property (text), item, widget (QComboBox, controlLocalizationCombo)
4421
4442
msgid "Edmistron-Ruedenberg"
4424
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1014
4445
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1046
4425
4446
#. i18n: ectx: property (text), item, widget (QComboBox, controlLocalizationCombo)
4426
4447
msgid "Pipek-Mezey"
4429
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1037
4450
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1069
4430
4451
#. i18n: ectx: property (text), widget (QLabel, label_17)
4431
4452
msgid "SCF Type:"
4434
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1044
4455
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1076
4435
4456
#. i18n: ectx: property (text), widget (QLabel, label_28)
4436
4457
msgid "Localization Method:"
4439
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1054
4460
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1086
4440
4461
#. i18n: ectx: property (text), widget (QLabel, label_26)
4441
4462
msgid "Exec Type:"
4444
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1061
4465
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1093
4445
4466
#. i18n: ectx: property (text), widget (QLabel, label_29)
4449
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1074
4470
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1106
4450
4471
#. i18n: ectx: property (text), item, widget (QComboBox, controlCICombo)
4454
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1079
4475
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1111
4455
4476
#. i18n: ectx: property (text), item, widget (QComboBox, controlCICombo)
4456
4477
msgid "Ames Lab. Determinant"
4459
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1084
4480
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1116
4460
4481
#. i18n: ectx: property (text), item, widget (QComboBox, controlCICombo)
4461
4482
msgid "Occupation Restricted Multiple Active Space"
4464
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1089
4485
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1121
4465
4486
#. i18n: ectx: property (text), item, widget (QComboBox, controlCICombo)
4466
4487
msgid "CI Singles"
4469
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1094
4490
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1126
4470
4491
#. i18n: ectx: property (text), item, widget (QComboBox, controlCICombo)
4471
4492
msgid "Full Second Order CI"
4474
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1099
4495
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1131
4475
4496
#. i18n: ectx: property (text), item, widget (QComboBox, controlCICombo)
4476
4497
msgid "General CI"
4479
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1107
4500
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1139
4480
4501
#. i18n: ectx: property (text), widget (QLabel, label_16)
4484
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1120
4505
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1152
4485
4506
#. i18n: ectx: property (text), item, widget (QComboBox, controlCCCombo)
4486
4507
msgid "LCCD: Linearized CC"
4489
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1125
4510
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1157
4490
4511
#. i18n: ectx: property (text), item, widget (QComboBox, controlCCCombo)
4491
4512
msgid "CCD: CC with Doubles"
4494
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1130
4515
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1162
4495
4516
#. i18n: ectx: property (text), item, widget (QComboBox, controlCCCombo)
4496
4517
msgid "CCSD: CC with Singles and Doubles"
4499
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1140
4520
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1172
4500
4521
#. i18n: ectx: property (text), item, widget (QComboBox, controlCCCombo)
4504
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1145
4525
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1177
4505
4526
#. i18n: ectx: property (text), item, widget (QComboBox, controlCCCombo)
4509
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1150
4530
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1182
4510
4531
#. i18n: ectx: property (text), item, widget (QComboBox, controlCCCombo)
4511
4532
msgid "EOM-CCSD"
4514
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1155
4535
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1187
4515
4536
#. i18n: ectx: property (text), item, widget (QComboBox, controlCCCombo)
4519
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1184
4540
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:169
4541
#. i18n: ectx: property (text), widget (QLabel, label_5)
4542
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1216
4520
4543
#. i18n: ectx: property (text), widget (QLabel, label_25)
4521
#. i18n: file: src/extensions/quantuminput/gaussianinputdialog.ui:293
4522
#. i18n: ectx: property (text), widget (QLabel, label_6)
4523
#. i18n: file: src/extensions/quantuminput/molproinputdialog.ui:297
4524
#. i18n: ectx: property (text), widget (QLabel, label_6)
4525
#. i18n: file: src/extensions/quantuminput/mopacinputdialog.ui:133
4526
#. i18n: ectx: property (text), widget (QLabel, label_6)
4527
#. i18n: file: src/extensions/quantuminput/nwcheminputdialog.ui:290
4528
#. i18n: ectx: property (text), widget (QLabel, label_6)
4529
#. i18n: file: src/extensions/quantuminput/qcheminputdialog.ui:307
4544
#. i18n: file: src/extensions/quantuminput/gamessukinputdialog.ui:331
4545
#. i18n: ectx: property (text), widget (QLabel, label_6)
4546
#. i18n: file: src/extensions/quantuminput/gaussianinputdialog.ui:297
4547
#. i18n: ectx: property (text), widget (QLabel, label_6)
4548
#. i18n: file: src/extensions/quantuminput/molproinputdialog.ui:300
4549
#. i18n: ectx: property (text), widget (QLabel, label_6)
4550
#. i18n: file: src/extensions/quantuminput/mopacinputdialog.ui:134
4551
#. i18n: ectx: property (text), widget (QLabel, label_6)
4552
#. i18n: file: src/extensions/quantuminput/nwcheminputdialog.ui:293
4553
#. i18n: ectx: property (text), widget (QLabel, label_6)
4554
#. i18n: file: src/extensions/quantuminput/qcheminputdialog.ui:310
4530
4555
#. i18n: ectx: property (text), widget (QLabel, label_6)
4531
4556
msgid "Multiplicity:"
4534
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1199
4559
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1231
4535
4560
#. i18n: ectx: property (text), item, widget (QComboBox, controlExecCombo)
4536
4561
msgid "Normal Run"
4539
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1204
4564
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1236
4540
4565
#. i18n: ectx: property (text), item, widget (QComboBox, controlExecCombo)
4544
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1209
4569
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1241
4545
4570
#. i18n: ectx: property (text), item, widget (QComboBox, controlExecCombo)
4549
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1238
4574
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1270
4550
4575
#. i18n: ectx: property (text), widget (QLabel, label_18)
4551
4576
msgid "Molecule Charge:"
4554
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1250
4579
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1282
4555
4580
#. i18n: ectx: property (text), widget (QLabel, label_27)
4556
4581
msgid "Run Type:"
4559
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1272
4584
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1304
4560
4585
#. i18n: ectx: property (text), widget (QCheckBox, controlMP2Check)
4561
4586
msgid "Use MP2"
4564
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1298
4589
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1330
4565
4590
#. i18n: ectx: property (text), widget (QCheckBox, controlDFTCheck)
4566
4591
msgid "Use DFT"
4569
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1347
4594
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1379
4570
4595
#. i18n: ectx: property (text), widget (QLabel, label_13)
4571
4596
msgid "# of Z-Matrix Variables"
4574
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1357
4599
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1389
4575
4600
#. i18n: ectx: property (text), item, widget (QComboBox, dataUnitsCombo)
4576
4601
msgid "Ǻngstrom"
4579
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1362
4604
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1394
4580
4605
#. i18n: ectx: property (text), item, widget (QComboBox, dataUnitsCombo)
4584
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1385
4609
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1417
4585
4610
#. i18n: ectx: property (text), widget (QLabel, label_15)
4586
4611
msgid "Order of Principal Axis:"
4589
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1392
4614
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1424
4590
4615
#. i18n: ectx: property (text), widget (QLabel, label_11)
4591
4616
msgid "Coordinate Type:"
4594
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1402
4619
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1434
4595
4620
#. i18n: ectx: property (text), item, widget (QComboBox, dataPointCombo)
4599
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1407
4624
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1439
4600
4625
#. i18n: ectx: property (text), item, widget (QComboBox, dataPointCombo)
4604
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1412
4629
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1444
4605
4630
#. i18n: ectx: property (text), item, widget (QComboBox, dataPointCombo)
4609
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1417
4634
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1449
4610
4635
#. i18n: ectx: property (text), item, widget (QComboBox, dataPointCombo)
4614
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1422
4639
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1454
4615
4640
#. i18n: ectx: property (text), item, widget (QComboBox, dataPointCombo)
4619
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1427
4644
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1459
4620
4645
#. i18n: ectx: property (text), item, widget (QComboBox, dataPointCombo)
4624
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1432
4649
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1464
4625
4650
#. i18n: ectx: property (text), item, widget (QComboBox, dataPointCombo)
4629
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1437
4654
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1469
4630
4655
#. i18n: ectx: property (text), item, widget (QComboBox, dataPointCombo)
4634
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1442
4659
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1474
4635
4660
#. i18n: ectx: property (text), item, widget (QComboBox, dataPointCombo)
4639
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1447
4664
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1479
4640
4665
#. i18n: ectx: property (text), item, widget (QComboBox, dataPointCombo)
4644
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1452
4669
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1484
4645
4670
#. i18n: ectx: property (text), item, widget (QComboBox, dataPointCombo)
4649
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1457
4674
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1489
4650
4675
#. i18n: ectx: property (text), item, widget (QComboBox, dataPointCombo)
4654
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1462
4679
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1494
4655
4680
#. i18n: ectx: property (text), item, widget (QComboBox, dataPointCombo)
4659
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1467
4684
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1499
4660
4685
#. i18n: ectx: property (text), item, widget (QComboBox, dataPointCombo)
4664
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1472
4689
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1504
4665
4690
#. i18n: ectx: property (text), item, widget (QComboBox, dataPointCombo)
4669
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1522
4694
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1554
4670
4695
#. i18n: ectx: property (text), item, widget (QComboBox, dataCoordinateCombo)
4671
4696
msgid "Unique cartesian Coords."
4674
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1527
4699
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1559
4675
4700
#. i18n: ectx: property (text), item, widget (QComboBox, dataCoordinateCombo)
4676
4701
msgid "Hilderbrant internals"
4679
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1532
4704
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1564
4680
4705
#. i18n: ectx: property (text), item, widget (QComboBox, dataCoordinateCombo)
4681
4706
msgid "Cartesian coordinates"
4684
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1542
4709
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1574
4685
4710
#. i18n: ectx: property (text), item, widget (QComboBox, dataCoordinateCombo)
4686
4711
msgid "MOPAC Z-Matrix"
4689
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1565
4714
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1597
4690
4715
#. i18n: ectx: property (text), widget (QCheckBox, dataSymmetryCheck)
4691
4716
msgid "Use Symmetry During Calculation"
4694
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1575
4719
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1607
4695
4720
#. i18n: ectx: property (text), widget (QLabel, label_12)
4699
4724
#. i18n: file: src/extensions/quantuminput/daltoninputdialog.ui:81
4700
4725
#. i18n: ectx: property (text), widget (QLabel, title)
4701
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1582
4726
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1614
4702
4727
#. i18n: ectx: property (text), widget (QLabel, label_10)
4703
#. i18n: file: src/extensions/quantuminput/gaussianinputdialog.ui:30
4728
#. i18n: file: src/extensions/quantuminput/gamessukinputdialog.ui:30
4729
#. i18n: ectx: property (text), widget (QLabel, label_7)
4730
#. i18n: file: src/extensions/quantuminput/gaussianinputdialog.ui:31
4704
4731
#. i18n: ectx: property (text), widget (QLabel, label_7)
4705
4732
#. i18n: file: src/extensions/quantuminput/molproinputdialog.ui:31
4706
4733
#. i18n: ectx: property (text), widget (QLabel, label_7)
4707
#. i18n: file: src/extensions/quantuminput/mopacinputdialog.ui:30
4734
#. i18n: file: src/extensions/quantuminput/mopacinputdialog.ui:31
4708
4735
#. i18n: ectx: property (text), widget (QLabel, label_7)
4709
4736
#. i18n: file: src/extensions/quantuminput/nwcheminputdialog.ui:31
4710
4737
#. i18n: ectx: property (text), widget (QLabel, label_7)
4718
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1639
4745
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1671
4719
4746
#. i18n: ectx: property (text), widget (QLabel, label_14)
4720
4747
msgid "Point Group:"
4723
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1666
4750
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1698
4724
4751
#. i18n: ectx: property (text), item, widget (QComboBox, systemTimeCombo)
4725
4752
msgid "Minutes"
4728
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1671
4755
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1703
4729
4756
#. i18n: ectx: property (text), item, widget (QComboBox, systemTimeCombo)
4733
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1676
4760
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1708
4734
4761
#. i18n: ectx: property (text), item, widget (QComboBox, systemTimeCombo)
4738
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1681
4765
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1713
4739
4766
#. i18n: ectx: property (text), item, widget (QComboBox, systemTimeCombo)
4743
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1686
4770
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1718
4744
4771
#. i18n: ectx: property (text), item, widget (QComboBox, systemTimeCombo)
4748
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1691
4775
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1723
4749
4776
#. i18n: ectx: property (text), item, widget (QComboBox, systemTimeCombo)
4750
4777
msgid "Millenia"
4753
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1720
4780
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1752
4754
4781
#. i18n: ectx: property (text), item, widget (QComboBox, systemMemoryCombo)
4755
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1764
4782
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1796
4756
4783
#. i18n: ectx: property (text), item, widget (QComboBox, systemDDICombo)
4757
4784
msgid "MegaWords"
4760
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1725
4787
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1757
4761
4788
#. i18n: ectx: property (text), item, widget (QComboBox, systemMemoryCombo)
4762
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1769
4789
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1801
4763
4790
#. i18n: ectx: property (text), item, widget (QComboBox, systemDDICombo)
4764
4791
msgid "MegaBytes"
4767
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1730
4794
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1762
4768
4795
#. i18n: ectx: property (text), item, widget (QComboBox, systemMemoryCombo)
4769
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1774
4796
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1806
4770
4797
#. i18n: ectx: property (text), item, widget (QComboBox, systemDDICombo)
4771
4798
msgid "GigaWords"
4774
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1735
4801
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1767
4775
4802
#. i18n: ectx: property (text), item, widget (QComboBox, systemMemoryCombo)
4776
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1779
4803
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1811
4777
4804
#. i18n: ectx: property (text), item, widget (QComboBox, systemDDICombo)
4778
4805
msgid "GigaBytes"
4781
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1807
4808
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1839
4782
4809
#. i18n: ectx: property (text), widget (QCheckBox, systemForceCheck)
4783
4810
msgid "Force Parallel Methods"
4786
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1830
4813
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1862
4787
4814
#. i18n: ectx: property (text), widget (QCheckBox, systemCoreCheck)
4788
4815
msgid "Produce \"core\" file upon abort"
4791
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1848
4818
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1880
4792
4819
#. i18n: ectx: property (text), item, widget (QComboBox, systemDiagonalizationCombo)
4796
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1853
4823
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1885
4797
4824
#. i18n: ectx: property (text), item, widget (QComboBox, systemDiagonalizationCombo)
4801
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1858
4828
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1890
4802
4829
#. i18n: ectx: property (text), item, widget (QComboBox, systemDiagonalizationCombo)
4806
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1866
4833
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1898
4807
4834
#. i18n: ectx: property (text), widget (QLabel, label_36)
4808
4835
msgid "Time Limit:"
4811
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1873
4838
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1905
4812
4839
#. i18n: ectx: property (text), widget (QLabel, label_38)
4813
4840
msgid "MemDDI:"
4816
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1880
4843
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1912
4817
4844
#. i18n: ectx: property (text), widget (QLabel, label_37)
4818
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2466
4845
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2498
4819
4846
#. i18n: ectx: property (text), widget (QLabel, label_43)
4820
4847
msgid "Memory:"
4823
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1887
4850
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1919
4824
4851
#. i18n: ectx: property (text), widget (QLabel, label_39)
4825
4852
msgid "Diagonalization Method:"
4828
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1894
4855
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1926
4829
4856
#. i18n: ectx: property (title), widget (QGroupBox, systemParallelGroup)
4830
4857
msgid "Parallel Load Balance Type"
4833
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1900
4860
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1932
4834
4861
#. i18n: ectx: property (text), widget (QRadioButton, systemLoopRadio)
4835
4862
msgctxt "\"Loop\" load balancing - set static node assignments"
4839
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1910
4866
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1942
4840
4867
#. i18n: ectx: property (text), widget (QRadioButton, systemNextRadio)
4841
4868
msgctxt "\"Next Value\" load balancing - dynamically assign nodes work"
4842
4869
msgid "Next Value"
4845
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1923
4872
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1955
4846
4873
#. i18n: ectx: property (text), widget (QCheckBox, systemExternalCheck)
4847
4874
msgid "Use External Data Representation for Messages"
4850
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1979
4877
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2011
4851
4878
#. i18n: ectx: property (text), widget (QLabel, label_4)
4852
4879
msgid "Initial Guess:"
4855
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1990
4882
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2022
4856
4883
#. i18n: ectx: property (text), item, widget (QComboBox, moGuessInitialCombo)
4860
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1995
4887
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2027
4861
4888
#. i18n: ectx: property (text), item, widget (QComboBox, moGuessInitialCombo)
4865
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2000
4892
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2032
4866
4893
#. i18n: ectx: property (text), item, widget (QComboBox, moGuessInitialCombo)
4867
4894
msgid "MO Read ($VEC)"
4870
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2005
4897
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2037
4871
4898
#. i18n: ectx: property (text), item, widget (QComboBox, moGuessInitialCombo)
4872
4899
msgid "MO Saved (DICTNRY)"
4875
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2010
4902
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2042
4876
4903
#. i18n: ectx: property (text), item, widget (QComboBox, moGuessInitialCombo)
4880
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2033
4907
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2065
4881
4908
#. i18n: ectx: property (text), widget (QCheckBox, moGuessRotateCheck)
4882
4909
msgid "Rotate Alpha and Beta Orbitals"
4885
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2040
4912
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2072
4886
4913
#. i18n: ectx: property (text), widget (QCheckBox, moGuessPrintCheck)
4887
4914
msgid "Print the Initial Guess"
4890
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2064
4917
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2096
4891
4918
#. i18n: ectx: property (title), widget (QGroupBox, miscInterfaceGroup)
4892
4919
msgid "GAMESS Interface to Other Codes"
4895
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2070
4922
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2102
4896
4923
#. i18n: ectx: property (text), widget (QCheckBox, miscMolPltCheck)
4900
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2077
4927
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2109
4901
4928
#. i18n: ectx: property (text), widget (QCheckBox, miscPltOrbCheck)
4905
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2084
4932
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2116
4906
4933
#. i18n: ectx: property (text), widget (QCheckBox, miscAIMPACCheck)
4910
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2091
4937
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2123
4911
4938
#. i18n: ectx: property (text), widget (QCheckBox, miscRPACCheck)
4915
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2101
4942
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2133
4916
4943
#. i18n: ectx: property (title), widget (QGroupBox, miscForceGroup)
4917
4944
msgid "Force a Check Run Type"
4920
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2117
4947
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2149
4921
4948
#. i18n: ectx: property (text), widget (QRadioButton, miscHondoRadio)
4922
4949
msgid "Hondo 8.2"
4925
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2124
4952
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2156
4926
4953
#. i18n: ectx: property (text), widget (QRadioButton, miscMELDFRadio)
4930
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2131
4957
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2163
4931
4958
#. i18n: ectx: property (text), widget (QRadioButton, miscGamessRadio)
4932
4959
msgid "GAMESS (UK Version)"
4935
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2138
4962
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2170
4936
4963
#. i18n: ectx: property (text), widget (QRadioButton, miscGaussianRadio)
4937
4964
msgid "Gaussian 9x"
4940
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2145
4967
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2177
4941
4968
#. i18n: ectx: property (text), widget (QRadioButton, miscAllRadio)
4945
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2170
4972
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2202
4946
4973
#. i18n: ectx: property (text), widget (QCheckBox, miscWaterCheck)
4947
4974
msgid "Solvate with Water"
4950
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2209
4977
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2241
4951
4978
#. i18n: ectx: property (text), widget (QCheckBox, scfGenerateCheck)
4952
4979
msgid "Generate UHF Natural Orbitals"
4955
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2216
4982
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2248
4956
4983
#. i18n: ectx: property (text), widget (QCheckBox, scfDirectCheck)
4957
4984
msgid "Direct SCF"
4960
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2223
4987
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2255
4961
4988
#. i18n: ectx: property (text), widget (QCheckBox, scfComputeCheck)
4962
4989
msgid "Compute Only Changed in Fock Matrix"
4965
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2250
4992
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2282
4966
4993
#. i18n: ectx: property (text), item, widget (QComboBox, dftFunctionalCombo)
4967
4994
msgid "Slater exchange"
4970
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2255
4997
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2287
4971
4998
#. i18n: ectx: property (text), item, widget (QComboBox, dftFunctionalCombo)
4972
4999
msgid "Becke 1988 exchange"
4975
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2260
5002
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2292
4976
5003
#. i18n: ectx: property (text), item, widget (QComboBox, dftFunctionalCombo)
4977
5004
msgid "VWN: Vosko-Wilk-Nusair (VWN5) correlation"
4980
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2265
5007
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2297
4981
5008
#. i18n: ectx: property (text), item, widget (QComboBox, dftFunctionalCombo)
4982
5009
msgid "LYP: Lee-Yang-Parr correlation"
4985
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2270
5012
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2302
4986
5013
#. i18n: ectx: property (text), item, widget (QComboBox, dftFunctionalCombo)
4987
5014
msgid "SVWN: Slater exchange + VWN correlation"
4990
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2275
5017
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2307
4991
5018
#. i18n: ectx: property (text), item, widget (QComboBox, dftFunctionalCombo)
4992
5019
msgid "BVWN: BECKE exchange + VWN5 correlation"
4995
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2280
5022
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2312
4996
5023
#. i18n: ectx: property (text), item, widget (QComboBox, dftFunctionalCombo)
4997
5024
msgid "BLYP: BECKE exchange + LYP correlation"
5000
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2290
5027
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2322
5001
5028
#. i18n: ectx: property (text), item, widget (QComboBox, dftFunctionalCombo)
5002
5029
msgid "Gill 1996 exchange"
5005
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2295
5032
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2327
5006
5033
#. i18n: ectx: property (text), item, widget (QComboBox, dftFunctionalCombo)
5007
5034
msgid "Perdew-Burke-Ernzerhof (PBE) exchange"
5010
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2300
5037
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2332
5011
5038
#. i18n: ectx: property (text), item, widget (QComboBox, dftFunctionalCombo)
5012
5039
msgid "OP: One-parameter Progressive correlation"
5015
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2305
5042
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2337
5016
5043
#. i18n: ectx: property (text), item, widget (QComboBox, dftFunctionalCombo)
5017
5044
msgid "SLYP: SLATER + Lee-Yang-Parr (LYP) correlation"
5020
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2310
5047
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2342
5021
5048
#. i18n: ectx: property (text), item, widget (QComboBox, dftFunctionalCombo)
5022
5049
msgid "SOP: SLATER + OP correlation"
5025
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2315
5052
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2347
5026
5053
#. i18n: ectx: property (text), item, widget (QComboBox, dftFunctionalCombo)
5027
5054
msgid "BOP: BECKE exchange + OP correlation"
5030
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2320
5057
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2352
5031
5058
#. i18n: ectx: property (text), item, widget (QComboBox, dftFunctionalCombo)
5032
5059
msgid "BVWN: GILL exchange + VWN5 correlation"
5035
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2325
5062
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2357
5036
5063
#. i18n: ectx: property (text), item, widget (QComboBox, dftFunctionalCombo)
5037
5064
msgid "GLYP: GILL exchange + LYP correlation"
5040
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2330
5067
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2362
5041
5068
#. i18n: ectx: property (text), item, widget (QComboBox, dftFunctionalCombo)
5042
5069
msgid "PBEVWN: PBE exchange + VWN6 correlation"
5045
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2335
5072
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2367
5046
5073
#. i18n: ectx: property (text), item, widget (QComboBox, dftFunctionalCombo)
5047
5074
msgid "PBELYP: PBE exchange +LYP correlation"
5050
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2340
5077
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2372
5051
5078
#. i18n: ectx: property (text), item, widget (QComboBox, dftFunctionalCombo)
5052
5079
msgid "PBEOP: PBE exchange + OP correlation"
5055
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2345
5082
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2377
5056
5083
#. i18n: ectx: property (text), item, widget (QComboBox, dftFunctionalCombo)
5057
5084
msgid "BHHLYP: HF and BECKE exchange + LYP correlation"
5060
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2371
5087
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2403
5061
5088
#. i18n: ectx: property (text), item, widget (QComboBox, dftMethodCombo)
5065
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2376
5092
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2408
5066
5093
#. i18n: ectx: property (text), item, widget (QComboBox, dftMethodCombo)
5067
5094
msgid "Grid-Free"
5070
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2399
5097
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2431
5071
5098
#. i18n: ectx: property (text), widget (QLabel, label_41)
5099
#. i18n: file: src/extensions/quantuminput/gamessukinputdialog.ui:224
5100
#. i18n: ectx: property (text), widget (QLabel, dftFunctionalLabel)
5072
5101
msgid "DFT Functional:"
5075
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2406
5104
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2438
5076
5105
#. i18n: ectx: property (text), widget (QLabel, label_40)
5077
#. i18n: file: src/extensions/quantuminput/mopacinputdialog.ui:186
5106
#. i18n: file: src/extensions/quantuminput/mopacinputdialog.ui:187
5078
5107
#. i18n: ectx: property (text), widget (QLabel, label_2)
5079
5108
msgid "Method:"
5082
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2430
5111
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2462
5083
5112
#. i18n: ectx: property (title), widget (QGroupBox, mp2IntegralGroup)
5084
5113
msgid "AO Integral Storage"
5087
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2439
5116
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2471
5088
5117
#. i18n: ectx: property (text), widget (QRadioButton, mp2DuplicatedRadio)
5089
5118
msgid "Duplicated on Each Node"
5092
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2446
5121
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2478
5093
5122
#. i18n: ectx: property (text), widget (QRadioButton, mp2DistributedRadio)
5094
5123
msgid "Distributed Across All Nodes"
5097
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2459
5126
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2491
5098
5127
#. i18n: ectx: property (text), widget (QLabel, label_45)
5102
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2473
5131
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2505
5103
5132
#. i18n: ectx: property (text), widget (QCheckBox, mp2ComputeCheck)
5104
5133
msgid "Compute MP2 Properties"
5107
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2480
5136
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2512
5108
5137
#. i18n: ectx: property (text), widget (QLabel, label_44)
5109
5138
msgid "Integral Retention Cutoff:"
5112
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2493
5141
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2525
5113
5142
#. i18n: ectx: property (text), widget (QCheckBox, mp2LocalizedCheck)
5114
5143
msgid "Use Localized Orbitals"
5117
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2500
5146
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2532
5118
5147
#. i18n: ectx: property (text), widget (QLabel, label_42)
5119
5148
msgid "# of Core Electrons:"
5122
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2507
5151
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2539
5123
5152
#. i18n: ectx: property (title), widget (QGroupBox, mp2TransformationGroup)
5124
5153
msgid "Transformation Method"
5127
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2516
5156
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2548
5128
5157
#. i18n: ectx: property (text), widget (QRadioButton, mp2TwoRadio)
5129
5158
msgid "Two Phase Bin Sort"
5132
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2523
5161
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2555
5133
5162
#. i18n: ectx: property (text), widget (QRadioButton, mp2SegmentedRadio)
5134
5163
msgid "Segmented Transformation"
5137
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2572
5166
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2604
5138
5167
#. i18n: ectx: property (text), widget (QRadioButton, hessianAnalyticRadio)
5139
5168
msgid "Analytic"
5142
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2582
5171
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2614
5143
5172
#. i18n: ectx: property (text), widget (QRadioButton, hessianNumericRadio)
5144
5173
msgid "Numeric"
5147
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2592
5176
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2624
5148
5177
#. i18n: ectx: property (text), widget (QCheckBox, hessianDoubleCheck)
5149
5178
msgid "Double Differenced Hessian"
5152
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2599
5181
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2631
5153
5182
#. i18n: ectx: property (text), widget (QCheckBox, hessianPrintCheck)
5154
5183
msgid "Print Internal Force Constants"
5157
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2606
5186
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2638
5158
5187
#. i18n: ectx: property (text), widget (QLabel, label_33)
5159
5188
msgid "Displacement Size:"
5162
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2613
5191
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2645
5163
5192
#. i18n: ectx: property (text), widget (QCheckBox, hessianPurifyCheck)
5164
5193
msgid "Purify Hessian"
5167
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2620
5196
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2652
5168
5197
#. i18n: ectx: property (text), widget (QLabel, label_31)
5169
5198
msgid "Frequency Scale Factor:"
5172
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2627
5201
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2659
5173
5202
#. i18n: ectx: property (text), widget (QLabel, label_32)
5177
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2661
5206
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2693
5178
5207
#. i18n: ectx: property (title), widget (QGroupBox, statPointHessianGroup)
5179
5208
msgid "Initial Hessian"
5182
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2667
5211
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2699
5183
5212
#. i18n: ectx: property (text), widget (QRadioButton, statPointGuessButton)
5184
5213
msgid "Guess (+ define)"
5187
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2674
5216
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2706
5188
5217
#. i18n: ectx: property (text), widget (QRadioButton, statPointReadButton)
5189
5218
msgid "Read (from $HESS)"
5192
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2691
5221
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2723
5193
5222
#. i18n: ectx: property (text), widget (QCheckBox, statPointUpdateCheck)
5194
5223
msgid "Update Step Size"
5197
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2701
5226
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2733
5198
5227
#. i18n: ectx: property (text), widget (QCheckBox, statPointPrintCheck)
5199
5228
msgid "Print Orbs at Each Iteration"
5202
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2708
5231
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2740
5203
5232
#. i18n: ectx: property (text), widget (QLabel, label_35)
5204
5233
msgid "Gradient Convergence Criteria:"
5207
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2737
5236
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2769
5208
5237
#. i18n: ectx: property (text), widget (QLabel, label_50)
5209
5238
msgid "Jump Size:"
5212
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2744
5241
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2776
5213
5242
#. i18n: ectx: property (text), widget (QCheckBox, statPointStationaryCheck)
5214
5243
msgid "Stationary Point"
5217
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2754
5246
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2786
5218
5247
#. i18n: ectx: property (text), widget (QLabel, label_51)
5219
5248
msgid "Optimization Method:"
5222
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2764
5251
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2796
5223
5252
#. i18n: ectx: property (title), widget (QGroupBox, groupBox_5)
5224
5253
msgid "Step Size"
5227
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2770
5256
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2802
5228
5257
#. i18n: ectx: property (text), widget (QLabel, label_47)
5229
5258
msgid "Maximum:"
5232
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2777
5261
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2809
5233
5262
#. i18n: ectx: property (text), widget (QLabel, label_48)
5234
5263
msgid "Minimum:"
5237
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2787
5266
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2819
5238
5267
#. i18n: ectx: property (text), widget (QLabel, label_49)
5239
5268
msgid "Initial:"
5242
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2831
5271
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2863
5243
5272
#. i18n: ectx: property (text), item, widget (QComboBox, statPointOptimizationCombo)
5244
5273
msgid "Newton-Raphson"
5247
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2836
5276
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2868
5248
5277
#. i18n: ectx: property (text), item, widget (QComboBox, statPointOptimizationCombo)
5249
5278
msgid "Rational Function Optimization"
5252
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2841
5281
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2873
5253
5282
#. i18n: ectx: property (text), item, widget (QComboBox, statPointOptimizationCombo)
5254
5283
msgid "Quadratic Approximation"
5257
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2846
5286
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2878
5258
5287
#. i18n: ectx: property (text), item, widget (QComboBox, statPointOptimizationCombo)
5259
5288
msgid "Schlegel (quasi-NR)"
5262
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2851
5291
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2883
5263
5292
#. i18n: ectx: property (text), item, widget (QComboBox, statPointOptimizationCombo)
5264
5293
msgid "Constrained Optimization"
5267
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2864
5296
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2896
5268
5297
#. i18n: ectx: property (text), widget (QLabel, label_53)
5272
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2886
5301
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2918
5273
5302
#. i18n: ectx: property (text), widget (QLabel, label_46)
5274
5303
msgid "Recalculate Hessian Every:"
5277
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2896
5306
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2928
5278
5307
#. i18n: ectx: property (text), widget (QLabel, label_52)
5279
5308
msgid "Follow Mode:"
5282
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2906
5311
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2938
5283
5312
#. i18n: ectx: property (text), widget (QLabel, label_34)
5284
5313
msgid "Maximum Steps:"
5287
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2939
5316
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2971
5288
5317
#. i18n: ectx: property (text), widget (QPushButton, resetAllButton)
5289
5318
msgid "Reset All"
5292
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2946
5321
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2978
5293
5322
#. i18n: ectx: property (text), widget (QPushButton, defaultsButton)
5294
5323
msgid "Defaults"
5297
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2969
5298
#. i18n: ectx: property (text), widget (QPushButton, computeButton)
5299
#. i18n: file: src/extensions/quantuminput/gaussianinputdialog.ui:528
5300
#. i18n: ectx: property (text), widget (QPushButton, computeButton)
5301
#. i18n: file: src/extensions/quantuminput/mopacinputdialog.ui:377
5302
#. i18n: ectx: property (text), widget (QPushButton, computeButton)
5303
#. i18n: file: src/extensions/quantuminput/qcheminputdialog.ui:476
5326
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:3001
5327
#. i18n: ectx: property (text), widget (QPushButton, computeButton)
5328
#. i18n: file: src/extensions/quantuminput/gaussianinputdialog.ui:532
5329
#. i18n: ectx: property (text), widget (QPushButton, computeButton)
5330
#. i18n: file: src/extensions/quantuminput/mopacinputdialog.ui:381
5331
#. i18n: ectx: property (text), widget (QPushButton, computeButton)
5332
#. i18n: file: src/extensions/quantuminput/qcheminputdialog.ui:479
5304
5333
#. i18n: ectx: property (text), widget (QPushButton, computeButton)
5305
5334
msgid "Compute..."
5308
#. i18n: file: src/extensions/quantuminput/daltoninputdialog.ui:1623
5309
#. i18n: ectx: property (text), widget (QPushButton, generateButton)
5310
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2976
5311
#. i18n: ectx: property (text), widget (QPushButton, generateButton)
5312
#. i18n: file: src/extensions/quantuminput/gaussianinputdialog.ui:535
5313
#. i18n: ectx: property (text), widget (QPushButton, generateButton)
5314
#. i18n: file: src/extensions/quantuminput/molproinputdialog.ui:466
5315
#. i18n: ectx: property (text), widget (QPushButton, generateButton)
5316
#. i18n: file: src/extensions/quantuminput/mopacinputdialog.ui:384
5317
#. i18n: ectx: property (text), widget (QPushButton, generateButton)
5318
#. i18n: file: src/extensions/quantuminput/nwcheminputdialog.ui:462
5319
#. i18n: ectx: property (text), widget (QPushButton, generateButton)
5320
#. i18n: file: src/extensions/quantuminput/qcheminputdialog.ui:483
5337
#. i18n: file: src/extensions/quantuminput/daltoninputdialog.ui:1626
5338
#. i18n: ectx: property (text), widget (QPushButton, generateButton)
5339
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:3008
5340
#. i18n: ectx: property (text), widget (QPushButton, generateButton)
5341
#. i18n: file: src/extensions/quantuminput/gamessukinputdialog.ui:519
5342
#. i18n: ectx: property (text), widget (QPushButton, generateButton)
5343
#. i18n: file: src/extensions/quantuminput/gaussianinputdialog.ui:539
5344
#. i18n: ectx: property (text), widget (QPushButton, generateButton)
5345
#. i18n: file: src/extensions/quantuminput/molproinputdialog.ui:510
5346
#. i18n: ectx: property (text), widget (QPushButton, generateButton)
5347
#. i18n: file: src/extensions/quantuminput/mopacinputdialog.ui:388
5348
#. i18n: ectx: property (text), widget (QPushButton, generateButton)
5349
#. i18n: file: src/extensions/quantuminput/nwcheminputdialog.ui:464
5350
#. i18n: ectx: property (text), widget (QPushButton, generateButton)
5351
#. i18n: file: src/extensions/quantuminput/qcheminputdialog.ui:486
5321
5352
#. i18n: ectx: property (text), widget (QPushButton, generateButton)
5322
5353
msgid "Generate..."
5325
5356
#. i18n: file: src/extensions/povraydialog.ui:118
5326
5357
#. i18n: ectx: property (text), widget (QPushButton, close)
5327
#. i18n: file: src/extensions/quantuminput/daltoninputdialog.ui:1630
5328
#. i18n: ectx: property (text), widget (QPushButton, closeButton)
5329
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2983
5330
#. i18n: ectx: property (text), widget (QPushButton, closeButton)
5331
#. i18n: file: src/extensions/quantuminput/gaussianinputdialog.ui:542
5332
#. i18n: ectx: property (text), widget (QPushButton, closeButton)
5333
#. i18n: file: src/extensions/quantuminput/molproinputdialog.ui:473
5334
#. i18n: ectx: property (text), widget (QPushButton, closeButton)
5335
#. i18n: file: src/extensions/quantuminput/mopacinputdialog.ui:391
5336
#. i18n: ectx: property (text), widget (QPushButton, closeButton)
5337
#. i18n: file: src/extensions/quantuminput/nwcheminputdialog.ui:469
5338
#. i18n: ectx: property (text), widget (QPushButton, closeButton)
5339
#. i18n: file: src/extensions/quantuminput/qcheminputdialog.ui:490
5358
#. i18n: file: src/extensions/quantuminput/daltoninputdialog.ui:1633
5359
#. i18n: ectx: property (text), widget (QPushButton, closeButton)
5360
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:3015
5361
#. i18n: ectx: property (text), widget (QPushButton, closeButton)
5362
#. i18n: file: src/extensions/quantuminput/gamessukinputdialog.ui:526
5363
#. i18n: ectx: property (text), widget (QPushButton, closeButton)
5364
#. i18n: file: src/extensions/quantuminput/gaussianinputdialog.ui:546
5365
#. i18n: ectx: property (text), widget (QPushButton, closeButton)
5366
#. i18n: file: src/extensions/quantuminput/molproinputdialog.ui:517
5367
#. i18n: ectx: property (text), widget (QPushButton, closeButton)
5368
#. i18n: file: src/extensions/quantuminput/mopacinputdialog.ui:395
5369
#. i18n: ectx: property (text), widget (QPushButton, closeButton)
5370
#. i18n: file: src/extensions/quantuminput/nwcheminputdialog.ui:471
5371
#. i18n: ectx: property (text), widget (QPushButton, closeButton)
5372
#. i18n: file: src/extensions/quantuminput/qcheminputdialog.ui:493
5340
5373
#. i18n: ectx: property (text), widget (QPushButton, closeButton)
5344
#. i18n: file: src/extensions/quantuminput/gaussianinputdialog.ui:19
5377
#. i18n: file: src/extensions/quantuminput/gaussianinputdialog.ui:20
5345
5378
#. i18n: ectx: property (windowTitle), widget (QDialog, GaussianInputDialog)
5346
5379
msgid "Gaussian Input"
5349
#. i18n: file: src/extensions/quantuminput/gaussianinputdialog.ui:47
5382
#. i18n: file: src/extensions/quantuminput/gamessukinputdialog.ui:51
5383
#. i18n: ectx: property (text), widget (QLabel, label)
5384
#. i18n: file: src/extensions/quantuminput/gaussianinputdialog.ui:48
5350
5385
#. i18n: ectx: property (text), widget (QLabel, label)
5351
5386
#. i18n: file: src/extensions/quantuminput/molproinputdialog.ui:48
5352
5387
#. i18n: ectx: property (text), widget (QLabel, label)
5353
#. i18n: file: src/extensions/quantuminput/mopacinputdialog.ui:47
5388
#. i18n: file: src/extensions/quantuminput/mopacinputdialog.ui:48
5354
5389
#. i18n: ectx: property (text), widget (QLabel, label)
5355
5390
#. i18n: file: src/extensions/quantuminput/nwcheminputdialog.ui:48
5356
5391
#. i18n: ectx: property (text), widget (QLabel, label)
5402
#. i18n: file: src/extensions/quantuminput/gaussianinputdialog.ui:233
5403
#. i18n: ectx: property (text), item, widget (QComboBox, basisCombo)
5404
#. i18n: file: src/extensions/quantuminput/nwcheminputdialog.ui:227
5405
#. i18n: ectx: property (text), item, widget (QComboBox, basisCombo)
5406
#. i18n: file: src/extensions/quantuminput/qcheminputdialog.ui:242
5439
#. i18n: file: src/extensions/quantuminput/gaussianinputdialog.ui:237
5440
#. i18n: ectx: property (text), item, widget (QComboBox, basisCombo)
5441
#. i18n: file: src/extensions/quantuminput/nwcheminputdialog.ui:230
5442
#. i18n: ectx: property (text), item, widget (QComboBox, basisCombo)
5443
#. i18n: file: src/extensions/quantuminput/qcheminputdialog.ui:245
5407
5444
#. i18n: ectx: property (text), item, widget (QComboBox, basisCombo)
5408
5445
msgid "LANL2DZ"
5411
#. i18n: file: src/extensions/quantuminput/gaussianinputdialog.ui:256
5412
#. i18n: ectx: property (text), widget (QLabel, label_3)
5413
#. i18n: file: src/extensions/quantuminput/molproinputdialog.ui:260
5414
#. i18n: ectx: property (text), widget (QLabel, label_3)
5415
#. i18n: file: src/extensions/quantuminput/mopacinputdialog.ui:96
5416
#. i18n: ectx: property (text), widget (QLabel, label_3)
5417
#. i18n: file: src/extensions/quantuminput/nwcheminputdialog.ui:250
5418
#. i18n: ectx: property (text), widget (QLabel, label_3)
5419
#. i18n: file: src/extensions/quantuminput/qcheminputdialog.ui:270
5448
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:300
5449
#. i18n: ectx: property (text), widget (QLabel, label_6)
5450
#. i18n: file: src/extensions/quantuminput/gamessukinputdialog.ui:291
5451
#. i18n: ectx: property (text), widget (QLabel, label_3)
5452
#. i18n: file: src/extensions/quantuminput/gaussianinputdialog.ui:260
5453
#. i18n: ectx: property (text), widget (QLabel, label_3)
5454
#. i18n: file: src/extensions/quantuminput/molproinputdialog.ui:263
5455
#. i18n: ectx: property (text), widget (QLabel, label_3)
5456
#. i18n: file: src/extensions/quantuminput/mopacinputdialog.ui:97
5457
#. i18n: ectx: property (text), widget (QLabel, label_3)
5458
#. i18n: file: src/extensions/quantuminput/nwcheminputdialog.ui:253
5459
#. i18n: ectx: property (text), widget (QLabel, label_3)
5460
#. i18n: file: src/extensions/quantuminput/qcheminputdialog.ui:273
5420
5461
#. i18n: ectx: property (text), widget (QLabel, label_3)
5421
5462
msgid "Charge:"
5424
#. i18n: file: src/extensions/quantuminput/gaussianinputdialog.ui:330
5465
#. i18n: file: src/extensions/quantuminput/gaussianinputdialog.ui:334
5425
5466
#. i18n: ectx: property (text), widget (QLabel, label_8)
5426
5467
msgid "Output:"
5429
#. i18n: file: src/extensions/quantuminput/gaussianinputdialog.ui:346
5470
#. i18n: file: src/extensions/quantuminput/gaussianinputdialog.ui:350
5430
5471
#. i18n: ectx: property (text), item, widget (QComboBox, outputCombo)
5431
5472
msgid "Standard"
5434
#. i18n: file: src/extensions/quantuminput/gaussianinputdialog.ui:351
5475
#. i18n: file: src/extensions/quantuminput/gaussianinputdialog.ui:355
5435
5476
#. i18n: ectx: property (text), item, widget (QComboBox, outputCombo)
5439
#. i18n: file: src/extensions/quantuminput/gaussianinputdialog.ui:356
5480
#. i18n: file: src/extensions/quantuminput/gaussianinputdialog.ui:360
5440
5481
#. i18n: ectx: property (text), item, widget (QComboBox, outputCombo)
5441
5482
msgid "Molekel"
5444
#. i18n: file: src/extensions/quantuminput/gaussianinputdialog.ui:379
5485
#. i18n: file: src/extensions/quantuminput/gaussianinputdialog.ui:383
5445
5486
#. i18n: ectx: property (text), widget (QLabel, label_9)
5446
5487
msgid "Checkpoint:"
5449
#. i18n: file: src/extensions/quantuminput/gaussianinputdialog.ui:396
5450
#. i18n: ectx: property (text), widget (QLabel, label_10)
5451
#. i18n: file: src/extensions/quantuminput/molproinputdialog.ui:334
5452
#. i18n: ectx: property (text), widget (QLabel, label_10)
5453
#. i18n: file: src/extensions/quantuminput/mopacinputdialog.ui:250
5454
#. i18n: ectx: property (text), widget (QLabel, label_10)
5455
#. i18n: file: src/extensions/quantuminput/nwcheminputdialog.ui:330
5456
#. i18n: ectx: property (text), widget (QLabel, label_10)
5457
#. i18n: file: src/extensions/quantuminput/qcheminputdialog.ui:344
5490
#. i18n: file: src/extensions/quantuminput/gamessukinputdialog.ui:371
5491
#. i18n: ectx: property (text), widget (QLabel, label_11)
5492
#. i18n: file: src/extensions/quantuminput/gaussianinputdialog.ui:400
5493
#. i18n: ectx: property (text), widget (QLabel, label_10)
5494
#. i18n: file: src/extensions/quantuminput/molproinputdialog.ui:337
5495
#. i18n: ectx: property (text), widget (QLabel, label_10)
5496
#. i18n: file: src/extensions/quantuminput/mopacinputdialog.ui:254
5497
#. i18n: ectx: property (text), widget (QLabel, label_10)
5498
#. i18n: file: src/extensions/quantuminput/nwcheminputdialog.ui:333
5499
#. i18n: ectx: property (text), widget (QLabel, label_10)
5500
#. i18n: file: src/extensions/quantuminput/qcheminputdialog.ui:347
5458
5501
#. i18n: ectx: property (text), widget (QLabel, label_10)
5459
5502
msgid "Format:"
5462
#. i18n: file: src/extensions/quantuminput/gaussianinputdialog.ui:415
5463
#. i18n: ectx: property (text), item, widget (QComboBox, coordCombo)
5464
#. i18n: file: src/extensions/quantuminput/molproinputdialog.ui:353
5465
#. i18n: ectx: property (text), item, widget (QComboBox, coordCombo)
5466
#. i18n: file: src/extensions/quantuminput/mopacinputdialog.ui:269
5467
#. i18n: ectx: property (text), item, widget (QComboBox, coordCombo)
5468
#. i18n: file: src/extensions/quantuminput/nwcheminputdialog.ui:349
5469
#. i18n: ectx: property (text), item, widget (QComboBox, coordCombo)
5470
#. i18n: file: src/extensions/quantuminput/qcheminputdialog.ui:363
5505
#. i18n: file: src/extensions/quantuminput/gamessukinputdialog.ui:387
5506
#. i18n: ectx: property (text), item, widget (QComboBox, coordCombo)
5507
#. i18n: file: src/extensions/quantuminput/gaussianinputdialog.ui:419
5508
#. i18n: ectx: property (text), item, widget (QComboBox, coordCombo)
5509
#. i18n: file: src/extensions/quantuminput/molproinputdialog.ui:356
5510
#. i18n: ectx: property (text), item, widget (QComboBox, coordCombo)
5511
#. i18n: file: src/extensions/quantuminput/mopacinputdialog.ui:273
5512
#. i18n: ectx: property (text), item, widget (QComboBox, coordCombo)
5513
#. i18n: file: src/extensions/quantuminput/nwcheminputdialog.ui:352
5514
#. i18n: ectx: property (text), item, widget (QComboBox, coordCombo)
5515
#. i18n: file: src/extensions/quantuminput/qcheminputdialog.ui:366
5471
5516
#. i18n: ectx: property (text), item, widget (QComboBox, coordCombo)
5472
5517
msgid "Cartesian"
5475
#. i18n: file: src/extensions/quantuminput/gaussianinputdialog.ui:420
5476
#. i18n: ectx: property (text), item, widget (QComboBox, coordCombo)
5477
#. i18n: file: src/extensions/quantuminput/molproinputdialog.ui:358
5478
#. i18n: ectx: property (text), item, widget (QComboBox, coordCombo)
5479
#. i18n: file: src/extensions/quantuminput/mopacinputdialog.ui:274
5480
#. i18n: ectx: property (text), item, widget (QComboBox, coordCombo)
5481
#. i18n: file: src/extensions/quantuminput/nwcheminputdialog.ui:354
5482
#. i18n: ectx: property (text), item, widget (QComboBox, coordCombo)
5483
#. i18n: file: src/extensions/quantuminput/qcheminputdialog.ui:368
5520
#. i18n: file: src/extensions/quantuminput/gamessukinputdialog.ui:392
5521
#. i18n: ectx: property (text), item, widget (QComboBox, coordCombo)
5522
#. i18n: file: src/extensions/quantuminput/gaussianinputdialog.ui:424
5523
#. i18n: ectx: property (text), item, widget (QComboBox, coordCombo)
5524
#. i18n: file: src/extensions/quantuminput/molproinputdialog.ui:361
5525
#. i18n: ectx: property (text), item, widget (QComboBox, coordCombo)
5526
#. i18n: file: src/extensions/quantuminput/mopacinputdialog.ui:278
5527
#. i18n: ectx: property (text), item, widget (QComboBox, coordCombo)
5528
#. i18n: file: src/extensions/quantuminput/nwcheminputdialog.ui:357
5529
#. i18n: ectx: property (text), item, widget (QComboBox, coordCombo)
5530
#. i18n: file: src/extensions/quantuminput/qcheminputdialog.ui:371
5484
5531
#. i18n: ectx: property (text), item, widget (QComboBox, coordCombo)
5485
5532
msgid "Z-matrix"
5488
#. i18n: file: src/extensions/quantuminput/gaussianinputdialog.ui:425
5489
#. i18n: ectx: property (text), item, widget (QComboBox, coordCombo)
5490
#. i18n: file: src/extensions/quantuminput/molproinputdialog.ui:363
5491
#. i18n: ectx: property (text), item, widget (QComboBox, coordCombo)
5492
#. i18n: file: src/extensions/quantuminput/nwcheminputdialog.ui:359
5493
#. i18n: ectx: property (text), item, widget (QComboBox, coordCombo)
5494
#. i18n: file: src/extensions/quantuminput/qcheminputdialog.ui:373
5535
#. i18n: file: src/extensions/quantuminput/gaussianinputdialog.ui:429
5536
#. i18n: ectx: property (text), item, widget (QComboBox, coordCombo)
5537
#. i18n: file: src/extensions/quantuminput/molproinputdialog.ui:366
5538
#. i18n: ectx: property (text), item, widget (QComboBox, coordCombo)
5539
#. i18n: file: src/extensions/quantuminput/nwcheminputdialog.ui:362
5540
#. i18n: ectx: property (text), item, widget (QComboBox, coordCombo)
5541
#. i18n: file: src/extensions/quantuminput/qcheminputdialog.ui:376
5495
5542
#. i18n: ectx: property (text), item, widget (QComboBox, coordCombo)
5496
5543
msgid "Z-matrix (compact)"
5499
#. i18n: file: src/extensions/quantuminput/daltoninputdialog.ui:1587
5500
#. i18n: ectx: property (text), widget (QPushButton, enableFormButton)
5501
#. i18n: file: src/extensions/quantuminput/gaussianinputdialog.ui:508
5502
#. i18n: ectx: property (text), widget (QPushButton, enableFormButton)
5503
#. i18n: file: src/extensions/quantuminput/molproinputdialog.ui:446
5504
#. i18n: ectx: property (text), widget (QPushButton, enableFormButton)
5505
#. i18n: file: src/extensions/quantuminput/mopacinputdialog.ui:357
5506
#. i18n: ectx: property (text), widget (QPushButton, enableFormButton)
5507
#. i18n: file: src/extensions/quantuminput/nwcheminputdialog.ui:442
5508
#. i18n: ectx: property (text), widget (QPushButton, enableFormButton)
5509
#. i18n: file: src/extensions/quantuminput/qcheminputdialog.ui:456
5546
#. i18n: file: src/extensions/quantuminput/daltoninputdialog.ui:1590
5547
#. i18n: ectx: property (text), widget (QPushButton, enableFormButton)
5548
#. i18n: file: src/extensions/quantuminput/gamessukinputdialog.ui:499
5549
#. i18n: ectx: property (text), widget (QPushButton, enableFormButton)
5550
#. i18n: file: src/extensions/quantuminput/gaussianinputdialog.ui:512
5551
#. i18n: ectx: property (text), widget (QPushButton, enableFormButton)
5552
#. i18n: file: src/extensions/quantuminput/molproinputdialog.ui:490
5553
#. i18n: ectx: property (text), widget (QPushButton, enableFormButton)
5554
#. i18n: file: src/extensions/quantuminput/mopacinputdialog.ui:361
5555
#. i18n: ectx: property (text), widget (QPushButton, enableFormButton)
5556
#. i18n: file: src/extensions/quantuminput/nwcheminputdialog.ui:444
5557
#. i18n: ectx: property (text), widget (QPushButton, enableFormButton)
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#. i18n: file: src/extensions/quantuminput/qcheminputdialog.ui:459
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#. i18n: ectx: property (text), widget (QPushButton, enableFormButton)
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msgid "Use Form"