3864
3871
#. i18n: file: src/extensions/quantuminput/daltoninputdialog.ui:425
3865
3872
#. i18n: ectx: property (text), item, widget (QComboBox, stoCombo)
3866
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:67
3873
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:70
3867
3874
#. i18n: ectx: property (text), item, widget (QComboBox, basicWithRightCombo)
3868
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:576
3875
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:603
3869
3876
#. i18n: ectx: property (text), item, widget (QComboBox, basisSetCombo)
3870
#. i18n: file: src/extensions/quantuminput/gaussianinputdialog.ui:213
3871
#. i18n: ectx: property (text), item, widget (QComboBox, basisCombo)
3872
#. i18n: file: src/extensions/quantuminput/molproinputdialog.ui:192
3873
#. i18n: ectx: property (text), item, widget (QComboBox, basisCombo)
3874
#. i18n: file: src/extensions/quantuminput/nwcheminputdialog.ui:187
3875
#. i18n: ectx: property (text), item, widget (QComboBox, basisCombo)
3876
#. i18n: file: src/extensions/quantuminput/qcheminputdialog.ui:202
3877
#. i18n: file: src/extensions/quantuminput/gamessukinputdialog.ui:134
3878
#. i18n: ectx: property (text), item, widget (QComboBox, basisCombo)
3879
#. i18n: file: src/extensions/quantuminput/gaussianinputdialog.ui:217
3880
#. i18n: ectx: property (text), item, widget (QComboBox, basisCombo)
3881
#. i18n: file: src/extensions/quantuminput/molproinputdialog.ui:195
3882
#. i18n: ectx: property (text), item, widget (QComboBox, basisCombo)
3883
#. i18n: file: src/extensions/quantuminput/nwcheminputdialog.ui:190
3884
#. i18n: ectx: property (text), item, widget (QComboBox, basisCombo)
3885
#. i18n: file: src/extensions/quantuminput/qcheminputdialog.ui:205
3877
3886
#. i18n: ectx: property (text), item, widget (QComboBox, basisCombo)
3881
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:72
3890
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:75
3882
3891
#. i18n: ectx: property (text), item, widget (QComboBox, basicWithRightCombo)
3883
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:561
3892
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:588
3884
3893
#. i18n: ectx: property (text), item, widget (QComboBox, basisSetCombo)
3888
3897
#. i18n: file: src/extensions/quantuminput/daltoninputdialog.ui:448
3889
3898
#. i18n: ectx: property (text), item, widget (QComboBox, popleCombo)
3890
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:77
3899
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:80
3891
3900
#. i18n: ectx: property (text), item, widget (QComboBox, basicWithRightCombo)
3892
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:596
3901
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:623
3893
3902
#. i18n: ectx: property (text), item, widget (QComboBox, basisSetCombo)
3894
#. i18n: file: src/extensions/quantuminput/gaussianinputdialog.ui:218
3895
#. i18n: ectx: property (text), item, widget (QComboBox, basisCombo)
3896
#. i18n: file: src/extensions/quantuminput/molproinputdialog.ui:197
3897
#. i18n: ectx: property (text), item, widget (QComboBox, basisCombo)
3898
#. i18n: file: src/extensions/quantuminput/nwcheminputdialog.ui:192
3899
#. i18n: ectx: property (text), item, widget (QComboBox, basisCombo)
3900
#. i18n: file: src/extensions/quantuminput/qcheminputdialog.ui:207
3903
#. i18n: file: src/extensions/quantuminput/gamessukinputdialog.ui:139
3904
#. i18n: ectx: property (text), item, widget (QComboBox, basisCombo)
3905
#. i18n: file: src/extensions/quantuminput/gaussianinputdialog.ui:222
3906
#. i18n: ectx: property (text), item, widget (QComboBox, basisCombo)
3907
#. i18n: file: src/extensions/quantuminput/molproinputdialog.ui:200
3908
#. i18n: ectx: property (text), item, widget (QComboBox, basisCombo)
3909
#. i18n: file: src/extensions/quantuminput/nwcheminputdialog.ui:195
3910
#. i18n: ectx: property (text), item, widget (QComboBox, basisCombo)
3911
#. i18n: file: src/extensions/quantuminput/qcheminputdialog.ui:210
3901
3912
#. i18n: ectx: property (text), item, widget (QComboBox, basisCombo)
3905
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:82
3916
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:85
3906
3917
#. i18n: ectx: property (text), item, widget (QComboBox, basicWithRightCombo)
3907
#. i18n: file: src/extensions/quantuminput/gaussianinputdialog.ui:223
3908
#. i18n: ectx: property (text), item, widget (QComboBox, basisCombo)
3909
#. i18n: file: src/extensions/quantuminput/molproinputdialog.ui:202
3910
#. i18n: ectx: property (text), item, widget (QComboBox, basisCombo)
3911
#. i18n: file: src/extensions/quantuminput/nwcheminputdialog.ui:197
3912
#. i18n: ectx: property (text), item, widget (QComboBox, basisCombo)
3913
#. i18n: file: src/extensions/quantuminput/qcheminputdialog.ui:212
3918
#. i18n: file: src/extensions/quantuminput/gamessukinputdialog.ui:144
3919
#. i18n: ectx: property (text), item, widget (QComboBox, basisCombo)
3920
#. i18n: file: src/extensions/quantuminput/gaussianinputdialog.ui:227
3921
#. i18n: ectx: property (text), item, widget (QComboBox, basisCombo)
3922
#. i18n: file: src/extensions/quantuminput/molproinputdialog.ui:205
3923
#. i18n: ectx: property (text), item, widget (QComboBox, basisCombo)
3924
#. i18n: file: src/extensions/quantuminput/nwcheminputdialog.ui:200
3925
#. i18n: ectx: property (text), item, widget (QComboBox, basisCombo)
3926
#. i18n: file: src/extensions/quantuminput/qcheminputdialog.ui:215
3914
3927
#. i18n: ectx: property (text), item, widget (QComboBox, basisCombo)
3915
3928
msgid "6-31G(d)"
3918
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:87
3931
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:90
3919
3932
#. i18n: ectx: property (text), item, widget (QComboBox, basicWithRightCombo)
3920
#. i18n: file: src/extensions/quantuminput/gaussianinputdialog.ui:228
3921
#. i18n: ectx: property (text), item, widget (QComboBox, basisCombo)
3922
#. i18n: file: src/extensions/quantuminput/molproinputdialog.ui:207
3923
#. i18n: ectx: property (text), item, widget (QComboBox, basisCombo)
3924
#. i18n: file: src/extensions/quantuminput/nwcheminputdialog.ui:202
3925
#. i18n: ectx: property (text), item, widget (QComboBox, basisCombo)
3926
#. i18n: file: src/extensions/quantuminput/qcheminputdialog.ui:217
3933
#. i18n: file: src/extensions/quantuminput/gamessukinputdialog.ui:149
3934
#. i18n: ectx: property (text), item, widget (QComboBox, basisCombo)
3935
#. i18n: file: src/extensions/quantuminput/gaussianinputdialog.ui:232
3936
#. i18n: ectx: property (text), item, widget (QComboBox, basisCombo)
3937
#. i18n: file: src/extensions/quantuminput/molproinputdialog.ui:210
3938
#. i18n: ectx: property (text), item, widget (QComboBox, basisCombo)
3939
#. i18n: file: src/extensions/quantuminput/nwcheminputdialog.ui:205
3940
#. i18n: ectx: property (text), item, widget (QComboBox, basisCombo)
3941
#. i18n: file: src/extensions/quantuminput/qcheminputdialog.ui:220
3927
3942
#. i18n: ectx: property (text), item, widget (QComboBox, basisCombo)
3928
3943
msgid "6-31G(d,p)"
3931
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:92
3946
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:95
3932
3947
#. i18n: ectx: property (text), item, widget (QComboBox, basicWithRightCombo)
3933
3948
msgid "6-31+G(d,p)"
3936
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:97
3951
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:100
3937
3952
#. i18n: ectx: property (text), item, widget (QComboBox, basicWithRightCombo)
3938
3953
msgid "6-31+G(2d,p)"
3941
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:102
3956
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:105
3942
3957
#. i18n: ectx: property (text), item, widget (QComboBox, basicWithRightCombo)
3943
3958
msgid "6-311++G(2d,p)"
3946
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:107
3961
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:110
3947
3962
#. i18n: ectx: property (text), item, widget (QComboBox, basicWithRightCombo)
3948
3963
msgid "Core Potential"
3951
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:133
3966
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:136
3952
3967
#. i18n: ectx: property (text), item, widget (QComboBox, basicOnLeftCombo)
3953
#. i18n: file: src/extensions/quantuminput/mopacinputdialog.ui:143
3968
#. i18n: file: src/extensions/quantuminput/mopacinputdialog.ui:144
3954
3969
#. i18n: ectx: property (text), item, widget (QComboBox, multiplicityCombo)
3955
3970
msgid "Singlet"
3958
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:138
3973
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:141
3959
3974
#. i18n: ectx: property (text), item, widget (QComboBox, basicOnLeftCombo)
3960
#. i18n: file: src/extensions/quantuminput/mopacinputdialog.ui:148
3975
#. i18n: file: src/extensions/quantuminput/mopacinputdialog.ui:149
3961
3976
#. i18n: ectx: property (text), item, widget (QComboBox, multiplicityCombo)
3962
3977
msgid "Doublet"
3965
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:143
3980
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:146
3966
3981
#. i18n: ectx: property (text), item, widget (QComboBox, basicOnLeftCombo)
3967
#. i18n: file: src/extensions/quantuminput/mopacinputdialog.ui:153
3982
#. i18n: file: src/extensions/quantuminput/mopacinputdialog.ui:154
3968
3983
#. i18n: ectx: property (text), item, widget (QComboBox, multiplicityCombo)
3969
3984
msgid "Triplet"
3972
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:152
3987
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:310
3973
3988
#. i18n: ectx: property (text), item, widget (QComboBox, basicOnRightCombo)
3974
3989
msgid "Dication"
3977
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:157
3992
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:315
3978
3993
#. i18n: ectx: property (text), item, widget (QComboBox, basicOnRightCombo)
3982
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:162
3997
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:320
3983
3998
#. i18n: ectx: property (text), item, widget (QComboBox, basicOnRightCombo)
3984
3999
msgid "Neutral"
3987
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:167
4002
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:325
3988
4003
#. i18n: ectx: property (text), item, widget (QComboBox, basicOnRightCombo)
3992
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:172
4007
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:330
3993
4008
#. i18n: ectx: property (text), item, widget (QComboBox, basicOnRightCombo)
3994
4009
msgid "Dianion"
3997
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:195
3998
#. i18n: ectx: property (text), widget (QLabel, label_5)
4002
4015
#. i18n: file: src/extensions/quantuminput/daltoninputdialog.ui:137
4003
4016
#. i18n: ectx: property (text), item, widget (QComboBox, calculationCombo)
4004
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:211
4017
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:185
4005
4018
#. i18n: ectx: property (text), item, widget (QComboBox, basicCalculateCombo)
4006
#. i18n: file: src/extensions/quantuminput/gaussianinputdialog.ui:63
4019
#. i18n: file: src/extensions/quantuminput/gamessukinputdialog.ui:67
4020
#. i18n: ectx: property (text), item, widget (QComboBox, calculationCombo)
4021
#. i18n: file: src/extensions/quantuminput/gaussianinputdialog.ui:64
4007
4022
#. i18n: ectx: property (text), item, widget (QComboBox, calculationCombo)
4008
4023
#. i18n: file: src/extensions/quantuminput/molproinputdialog.ui:64
4009
4024
#. i18n: ectx: property (text), item, widget (QComboBox, calculationCombo)
4010
#. i18n: file: src/extensions/quantuminput/mopacinputdialog.ui:63
4025
#. i18n: file: src/extensions/quantuminput/mopacinputdialog.ui:64
4011
4026
#. i18n: ectx: property (text), item, widget (QComboBox, calculationCombo)
4012
4027
#. i18n: file: src/extensions/quantuminput/nwcheminputdialog.ui:64
4013
4028
#. i18n: ectx: property (text), item, widget (QComboBox, calculationCombo)
4041
4058
msgid "Frequencies"
4044
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:252
4061
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:226
4045
4062
#. i18n: ectx: property (text), item, widget (QComboBox, basicInCombo)
4049
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:257
4066
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:231
4050
4067
#. i18n: ectx: property (text), item, widget (QComboBox, basicInCombo)
4054
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:280
4071
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:254
4055
4072
#. i18n: ectx: property (text), widget (QLabel, label)
4056
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2681
4073
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2713
4057
4074
#. i18n: ectx: property (text), widget (QRadioButton, statPointCalculateButton)
4058
#. i18n: file: src/extensions/surfacedialog.ui:335
4075
#. i18n: file: src/extensions/surfaces/surfacedialog.ui:367
4059
4076
#. i18n: ectx: property (text), widget (QPushButton, calculateButton)
4060
4077
msgid "Calculate"
4063
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:290
4080
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:264
4064
4081
#. i18n: ectx: property (text), widget (QLabel, label_2)
4068
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:300
4085
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:274
4069
4086
#. i18n: ectx: property (text), widget (QLabel, label_3)
4073
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:327
4090
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:354
4074
4091
#. i18n: ectx: attribute (title), widget (QWidget, advancedWidget)
4075
4092
msgid "&Advanced Setup"
4078
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:361
4095
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:388
4079
4096
#. i18n: ectx: property (text), widget (QTreeWidget, navigationTree)
4080
4097
msgid "Advanced"
4083
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:366
4100
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:393
4084
4101
#. i18n: ectx: property (text), item, widget (QTreeWidget, navigationTree)
4088
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:371
4105
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:398
4089
4106
#. i18n: ectx: property (text), item, widget (QTreeWidget, navigationTree)
4090
4107
msgid "Control"
4093
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:375
4110
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:402
4094
4111
#. i18n: ectx: property (text), item, widget (QTreeWidget, navigationTree)
4098
4115
#. i18n: file: src/extensions/quantuminput/daltoninputdialog.ui:792
4099
4116
#. i18n: ectx: attribute (title), widget (QWidget, dftTab)
4100
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:380
4117
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:407
4101
4118
#. i18n: ectx: property (text), item, widget (QTreeWidget, navigationTree)
4119
#. i18n: file: src/extensions/quantuminput/gamessukinputdialog.ui:193
4120
#. i18n: ectx: property (text), item, widget (QComboBox, theoryCombo)
4105
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:390
4124
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:417
4106
4125
#. i18n: ectx: property (text), item, widget (QTreeWidget, navigationTree)
4107
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:827
4126
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:859
4108
4127
#. i18n: ectx: property (text), item, widget (QComboBox, controlRunCombo)
4109
4128
msgid "Hessian"
4112
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:395
4131
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:422
4113
4132
#. i18n: ectx: property (text), item, widget (QTreeWidget, navigationTree)
4114
4133
msgid "Stat Point"
4117
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:401
4136
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:428
4118
4137
#. i18n: ectx: property (text), item, widget (QTreeWidget, navigationTree)
4122
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:406
4141
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:433
4123
4142
#. i18n: ectx: property (text), item, widget (QTreeWidget, navigationTree)
4127
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:411
4146
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:438
4128
4147
#. i18n: ectx: property (text), item, widget (QTreeWidget, navigationTree)
4129
4148
msgid "MO Guess"
4132
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:416
4151
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:443
4133
4152
#. i18n: ectx: property (text), item, widget (QTreeWidget, navigationTree)
4137
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:437
4156
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:464
4138
4157
#. i18n: ectx: property (text), widget (QLabel, label_24)
4139
4158
msgid "#D Heavy Atom Polarization Functions:"
4142
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:455
4161
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:482
4143
4162
#. i18n: ectx: property (text), item, widget (QComboBox, basisECPCombo)
4147
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:460
4166
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:487
4148
4167
#. i18n: ectx: property (text), item, widget (QComboBox, basisECPCombo)
4152
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:465
4171
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:492
4153
4172
#. i18n: ectx: property (text), item, widget (QComboBox, basisECPCombo)
4154
4173
msgid "Hay-Wadt"
4157
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:490
4176
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:517
4158
4177
#. i18n: ectx: property (text), widget (QCheckBox, basisSCheck)
4159
4178
msgid "Diffuse S-Shell on Heavy Atoms"
4162
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:497
4181
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:524
4163
4182
#. i18n: ectx: property (text), widget (QCheckBox, basisLCheck)
4164
4183
msgid "Diffuse L-Shell on Heavy Atoms"
4167
4186
#. i18n: file: src/extensions/quantuminput/daltoninputdialog.ui:197
4168
4187
#. i18n: ectx: property (text), widget (QLabel, basis)
4169
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:547
4188
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:574
4170
4189
#. i18n: ectx: property (text), widget (QLabel, label_19)
4190
#. i18n: file: src/extensions/quantuminput/molproinputdialog.ui:176
4191
#. i18n: ectx: property (text), widget (QLabel, label_5)
4171
4192
msgid "Basis Set:"
4174
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:566
4195
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:593
4175
4196
#. i18n: ectx: property (text), item, widget (QComboBox, basisSetCombo)
4179
4200
#. i18n: file: src/extensions/quantuminput/daltoninputdialog.ui:420
4180
4201
#. i18n: ectx: property (text), item, widget (QComboBox, stoCombo)
4181
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:571
4202
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:598
4182
4203
#. i18n: ectx: property (text), item, widget (QComboBox, basisSetCombo)
4186
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:581
4207
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:608
4187
4208
#. i18n: ectx: property (text), item, widget (QComboBox, basisSetCombo)
4191
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:586
4212
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:613
4192
4213
#. i18n: ectx: property (text), item, widget (QComboBox, basisSetCombo)
4196
4217
#. i18n: file: src/extensions/quantuminput/daltoninputdialog.ui:430
4197
4218
#. i18n: ectx: property (text), item, widget (QComboBox, stoCombo)
4198
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:591
4219
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:618
4199
4220
#. i18n: ectx: property (text), item, widget (QComboBox, basisSetCombo)
4203
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:601
4224
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:628
4204
4225
#. i18n: ectx: property (text), item, widget (QComboBox, basisSetCombo)
4208
4229
#. i18n: file: src/extensions/quantuminput/daltoninputdialog.ui:453
4209
4230
#. i18n: ectx: property (text), item, widget (QComboBox, popleCombo)
4210
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:606
4231
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:633
4211
4232
#. i18n: ectx: property (text), item, widget (QComboBox, basisSetCombo)
4215
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:611
4236
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:638
4216
4237
#. i18n: ectx: property (text), item, widget (QComboBox, basisSetCombo)
4220
4241
#. i18n: file: src/extensions/quantuminput/daltoninputdialog.ui:458
4221
4242
#. i18n: ectx: property (text), item, widget (QComboBox, popleCombo)
4222
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:616
4243
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:643
4223
4244
#. i18n: ectx: property (text), item, widget (QComboBox, basisSetCombo)
4227
4248
#. i18n: file: src/extensions/quantuminput/daltoninputdialog.ui:463
4228
4249
#. i18n: ectx: property (text), item, widget (QComboBox, popleCombo)
4229
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:621
4250
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:648
4230
4251
#. i18n: ectx: property (text), item, widget (QComboBox, basisSetCombo)
4234
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:626
4255
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:653
4235
4256
#. i18n: ectx: property (text), item, widget (QComboBox, basisSetCombo)
4236
4257
msgid "Double Zeta Valence"
4239
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:631
4260
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:658
4240
4261
#. i18n: ectx: property (text), item, widget (QComboBox, basisSetCombo)
4241
4262
msgid "Dunning/Hay DZ"
4244
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:636
4265
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:668
4245
4266
#. i18n: ectx: property (text), item, widget (QComboBox, basisSetCombo)
4246
4267
msgid "Triple Zeta Valence"
4249
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:641
4270
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:673
4250
4271
#. i18n: ectx: property (text), item, widget (QComboBox, basisSetCombo)
4251
4272
msgid "McLean/Chandler"
4254
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:646
4275
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:678
4255
4276
#. i18n: ectx: property (text), item, widget (QComboBox, basisSetCombo)
4256
4277
msgid "SBKJA Valence"
4259
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:651
4280
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:683
4260
4281
#. i18n: ectx: property (text), item, widget (QComboBox, basisSetCombo)
4261
4282
msgid "Hay/Wadt Valence"
4264
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:656
4285
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:688
4265
4286
#. i18n: ectx: property (text), item, widget (QComboBox, basisSetCombo)
4266
#. i18n: file: src/extensions/quantuminput/mopacinputdialog.ui:207
4287
#. i18n: file: src/extensions/quantuminput/mopacinputdialog.ui:211
4267
4288
#. i18n: ectx: property (text), item, widget (QComboBox, theoryCombo)
4271
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:703
4292
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:735
4272
4293
#. i18n: ectx: property (text), widget (QLabel, label_22)
4273
4294
msgid "ECP Type:"
4276
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:717
4297
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:749
4277
4298
#. i18n: ectx: property (text), item, widget (QComboBox, basisPolarCombo)
4278
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1843
4299
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1875
4279
4300
#. i18n: ectx: property (text), item, widget (QComboBox, systemDiagonalizationCombo)
4280
4301
msgid "Default"
4283
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:722
4304
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:754
4284
4305
#. i18n: ectx: property (text), item, widget (QComboBox, basisPolarCombo)
4288
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:727
4309
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:759
4289
4310
#. i18n: ectx: property (text), item, widget (QComboBox, basisPolarCombo)
4290
4311
msgid "Pople N311"
4293
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:732
4314
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:764
4294
4315
#. i18n: ectx: property (text), item, widget (QComboBox, basisPolarCombo)
4295
4316
msgid "Dunning"
4298
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:737
4319
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:769
4299
4320
#. i18n: ectx: property (text), item, widget (QComboBox, basisPolarCombo)
4300
4321
msgid "Huzinaga"
4303
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:742
4324
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:774
4304
4325
#. i18n: ectx: property (text), item, widget (QComboBox, basisPolarCombo)
4308
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:750
4329
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:782
4309
4330
#. i18n: ectx: property (text), widget (QLabel, label_20)
4310
4331
msgid "#F Heavy Atom Polarization Functions:"
4313
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:760
4334
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:792
4314
4335
#. i18n: ectx: property (text), widget (QLabel, label_21)
4315
4336
msgid "#light Atom Polarization Functions:"
4318
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:777
4339
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:809
4319
4340
#. i18n: ectx: property (text), widget (QLabel, label_23)
4323
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:807
4344
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:839
4324
4345
#. i18n: ectx: property (text), widget (QLabel, label_30)
4325
4346
msgid "Max SCF Iterations:"
4328
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:822
4349
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:854
4329
4350
#. i18n: ectx: property (text), item, widget (QComboBox, controlRunCombo)
4330
4351
msgid "Gradient"
4333
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:832
4354
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:864
4334
4355
#. i18n: ectx: property (text), item, widget (QComboBox, controlRunCombo)
4335
4356
msgid "Optimization"
4338
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:837
4359
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:869
4339
4360
#. i18n: ectx: property (text), item, widget (QComboBox, controlRunCombo)
4343
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:842
4364
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:874
4344
4365
#. i18n: ectx: property (text), item, widget (QComboBox, controlRunCombo)
4345
4366
msgid "Saddle Point"
4348
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:847
4369
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:879
4349
4370
#. i18n: ectx: property (text), item, widget (QComboBox, controlRunCombo)
4353
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:852
4374
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:884
4354
4375
#. i18n: ectx: property (text), item, widget (QComboBox, controlRunCombo)
4355
4376
msgid "Gradient Extremal"
4358
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:857
4379
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:889
4359
4380
#. i18n: ectx: property (text), item, widget (QComboBox, controlRunCombo)
4363
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:862
4384
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:894
4364
4385
#. i18n: ectx: property (text), item, widget (QComboBox, controlRunCombo)
4365
4386
msgid "Energy Surface"
4368
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:872
4389
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:904
4369
4390
#. i18n: ectx: property (text), item, widget (QComboBox, controlRunCombo)
4370
4391
msgid "Morokuma"
4373
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:877
4394
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:909
4374
4395
#. i18n: ectx: property (text), item, widget (QComboBox, controlRunCombo)
4375
4396
msgid "Radiative Transition mom."
4378
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:882
4399
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:914
4379
4400
#. i18n: ectx: property (text), item, widget (QComboBox, controlRunCombo)
4380
4401
msgid "Spin Orbit"
4383
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:887
4404
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:919
4384
4405
#. i18n: ectx: property (text), item, widget (QComboBox, controlRunCombo)
4385
4406
msgid "Finite Electric Field"
4388
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:892
4409
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:924
4389
4410
#. i18n: ectx: property (text), item, widget (QComboBox, controlRunCombo)
4393
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:897
4414
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:929
4394
4415
#. i18n: ectx: property (text), item, widget (QComboBox, controlRunCombo)
4395
4416
msgid "Global Optimization"
4398
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:902
4419
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:934
4399
4420
#. i18n: ectx: property (text), item, widget (QComboBox, controlRunCombo)
4403
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:907
4424
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:939
4404
4425
#. i18n: ectx: property (text), item, widget (QComboBox, controlRunCombo)
4405
4426
msgid "FMO Optimization"
4408
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:912
4429
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:944
4409
4430
#. i18n: ectx: property (text), item, widget (QComboBox, controlRunCombo)
4410
4431
msgid "Raman Intensities"
4413
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:917
4434
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:949
4414
4435
#. i18n: ectx: property (text), item, widget (QComboBox, controlRunCombo)
4418
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:922
4439
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:954
4419
4440
#. i18n: ectx: property (text), item, widget (QComboBox, controlRunCombo)
4420
4441
msgid "Make EFP"
4423
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:953
4444
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:985
4424
4445
#. i18n: ectx: property (text), item, widget (QComboBox, controlSCFCombo)
4428
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:958
4449
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:990
4429
4450
#. i18n: ectx: property (text), item, widget (QComboBox, controlSCFCombo)
4433
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:963
4454
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:995
4434
4455
#. i18n: ectx: property (text), item, widget (QComboBox, controlSCFCombo)
4438
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:968
4459
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1000
4439
4460
#. i18n: ectx: property (text), item, widget (QComboBox, controlSCFCombo)
4443
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:973
4464
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1005
4444
4465
#. i18n: ectx: property (text), item, widget (QComboBox, controlSCFCombo)
4445
4466
msgid "None (CI)"
4448
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1004
4469
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1036
4449
4470
#. i18n: ectx: property (text), item, widget (QComboBox, controlLocalizationCombo)
4450
4471
msgid "Foster-Boys"
4453
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1009
4474
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1041
4454
4475
#. i18n: ectx: property (text), item, widget (QComboBox, controlLocalizationCombo)
4455
4476
msgid "Edmistron-Ruedenberg"
4458
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1014
4479
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1046
4459
4480
#. i18n: ectx: property (text), item, widget (QComboBox, controlLocalizationCombo)
4460
4481
msgid "Pipek-Mezey"
4463
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1037
4484
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1069
4464
4485
#. i18n: ectx: property (text), widget (QLabel, label_17)
4465
4486
msgid "SCF Type:"
4468
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1044
4489
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1076
4469
4490
#. i18n: ectx: property (text), widget (QLabel, label_28)
4470
4491
msgid "Localization Method:"
4473
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1054
4494
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1086
4474
4495
#. i18n: ectx: property (text), widget (QLabel, label_26)
4475
4496
msgid "Exec Type:"
4478
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1061
4499
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1093
4479
4500
#. i18n: ectx: property (text), widget (QLabel, label_29)
4483
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1074
4504
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1106
4484
4505
#. i18n: ectx: property (text), item, widget (QComboBox, controlCICombo)
4488
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1079
4509
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1111
4489
4510
#. i18n: ectx: property (text), item, widget (QComboBox, controlCICombo)
4490
4511
msgid "Ames Lab. Determinant"
4493
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1084
4514
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1116
4494
4515
#. i18n: ectx: property (text), item, widget (QComboBox, controlCICombo)
4495
4516
msgid "Occupation Restricted Multiple Active Space"
4498
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1089
4519
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1121
4499
4520
#. i18n: ectx: property (text), item, widget (QComboBox, controlCICombo)
4500
4521
msgid "CI Singles"
4503
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1094
4524
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1126
4504
4525
#. i18n: ectx: property (text), item, widget (QComboBox, controlCICombo)
4505
4526
msgid "Full Second Order CI"
4508
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1099
4529
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1131
4509
4530
#. i18n: ectx: property (text), item, widget (QComboBox, controlCICombo)
4510
4531
msgid "General CI"
4513
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1107
4534
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1139
4514
4535
#. i18n: ectx: property (text), widget (QLabel, label_16)
4518
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1120
4539
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1152
4519
4540
#. i18n: ectx: property (text), item, widget (QComboBox, controlCCCombo)
4520
4541
msgid "LCCD: Linearized CC"
4523
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1125
4544
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1157
4524
4545
#. i18n: ectx: property (text), item, widget (QComboBox, controlCCCombo)
4525
4546
msgid "CCD: CC with Doubles"
4528
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1130
4549
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1162
4529
4550
#. i18n: ectx: property (text), item, widget (QComboBox, controlCCCombo)
4530
4551
msgid "CCSD: CC with Singles and Doubles"
4533
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1140
4554
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1172
4534
4555
#. i18n: ectx: property (text), item, widget (QComboBox, controlCCCombo)
4538
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1145
4559
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1177
4539
4560
#. i18n: ectx: property (text), item, widget (QComboBox, controlCCCombo)
4543
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1150
4564
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1182
4544
4565
#. i18n: ectx: property (text), item, widget (QComboBox, controlCCCombo)
4545
4566
msgid "EOM-CCSD"
4548
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1155
4569
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1187
4549
4570
#. i18n: ectx: property (text), item, widget (QComboBox, controlCCCombo)
4553
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1184
4574
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:169
4575
#. i18n: ectx: property (text), widget (QLabel, label_5)
4576
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1216
4554
4577
#. i18n: ectx: property (text), widget (QLabel, label_25)
4555
#. i18n: file: src/extensions/quantuminput/gaussianinputdialog.ui:293
4556
#. i18n: ectx: property (text), widget (QLabel, label_6)
4557
#. i18n: file: src/extensions/quantuminput/molproinputdialog.ui:297
4558
#. i18n: ectx: property (text), widget (QLabel, label_6)
4559
#. i18n: file: src/extensions/quantuminput/mopacinputdialog.ui:133
4560
#. i18n: ectx: property (text), widget (QLabel, label_6)
4561
#. i18n: file: src/extensions/quantuminput/nwcheminputdialog.ui:290
4562
#. i18n: ectx: property (text), widget (QLabel, label_6)
4563
#. i18n: file: src/extensions/quantuminput/qcheminputdialog.ui:307
4578
#. i18n: file: src/extensions/quantuminput/gamessukinputdialog.ui:331
4579
#. i18n: ectx: property (text), widget (QLabel, label_6)
4580
#. i18n: file: src/extensions/quantuminput/gaussianinputdialog.ui:297
4581
#. i18n: ectx: property (text), widget (QLabel, label_6)
4582
#. i18n: file: src/extensions/quantuminput/molproinputdialog.ui:300
4583
#. i18n: ectx: property (text), widget (QLabel, label_6)
4584
#. i18n: file: src/extensions/quantuminput/mopacinputdialog.ui:134
4585
#. i18n: ectx: property (text), widget (QLabel, label_6)
4586
#. i18n: file: src/extensions/quantuminput/nwcheminputdialog.ui:293
4587
#. i18n: ectx: property (text), widget (QLabel, label_6)
4588
#. i18n: file: src/extensions/quantuminput/qcheminputdialog.ui:310
4564
4589
#. i18n: ectx: property (text), widget (QLabel, label_6)
4565
4590
msgid "Multiplicity:"
4568
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1199
4593
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1231
4569
4594
#. i18n: ectx: property (text), item, widget (QComboBox, controlExecCombo)
4570
4595
msgid "Normal Run"
4573
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1204
4598
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1236
4574
4599
#. i18n: ectx: property (text), item, widget (QComboBox, controlExecCombo)
4578
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1209
4603
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1241
4579
4604
#. i18n: ectx: property (text), item, widget (QComboBox, controlExecCombo)
4583
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1238
4608
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1270
4584
4609
#. i18n: ectx: property (text), widget (QLabel, label_18)
4585
4610
msgid "Molecule Charge:"
4588
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1250
4613
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1282
4589
4614
#. i18n: ectx: property (text), widget (QLabel, label_27)
4590
4615
msgid "Run Type:"
4593
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1272
4618
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1304
4594
4619
#. i18n: ectx: property (text), widget (QCheckBox, controlMP2Check)
4595
4620
msgid "Use MP2"
4598
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1298
4623
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1330
4599
4624
#. i18n: ectx: property (text), widget (QCheckBox, controlDFTCheck)
4600
4625
msgid "Use DFT"
4603
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1347
4628
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1379
4604
4629
#. i18n: ectx: property (text), widget (QLabel, label_13)
4605
4630
msgid "# of Z-Matrix Variables"
4608
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1357
4633
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1389
4609
4634
#. i18n: ectx: property (text), item, widget (QComboBox, dataUnitsCombo)
4610
4635
msgid "Ǻngstrom"
4613
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1362
4638
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1394
4614
4639
#. i18n: ectx: property (text), item, widget (QComboBox, dataUnitsCombo)
4618
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1385
4643
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1417
4619
4644
#. i18n: ectx: property (text), widget (QLabel, label_15)
4620
4645
msgid "Order of Principal Axis:"
4623
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1392
4648
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1424
4624
4649
#. i18n: ectx: property (text), widget (QLabel, label_11)
4625
4650
msgid "Coordinate Type:"
4628
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1402
4653
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1434
4629
4654
#. i18n: ectx: property (text), item, widget (QComboBox, dataPointCombo)
4633
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1407
4658
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1439
4634
4659
#. i18n: ectx: property (text), item, widget (QComboBox, dataPointCombo)
4638
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1412
4663
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1444
4639
4664
#. i18n: ectx: property (text), item, widget (QComboBox, dataPointCombo)
4643
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1417
4668
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1449
4644
4669
#. i18n: ectx: property (text), item, widget (QComboBox, dataPointCombo)
4648
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1422
4673
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1454
4649
4674
#. i18n: ectx: property (text), item, widget (QComboBox, dataPointCombo)
4653
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1427
4678
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1459
4654
4679
#. i18n: ectx: property (text), item, widget (QComboBox, dataPointCombo)
4658
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1432
4683
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1464
4659
4684
#. i18n: ectx: property (text), item, widget (QComboBox, dataPointCombo)
4663
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1437
4688
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1469
4664
4689
#. i18n: ectx: property (text), item, widget (QComboBox, dataPointCombo)
4668
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1442
4693
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1474
4669
4694
#. i18n: ectx: property (text), item, widget (QComboBox, dataPointCombo)
4673
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1447
4698
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1479
4674
4699
#. i18n: ectx: property (text), item, widget (QComboBox, dataPointCombo)
4678
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1452
4703
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1484
4679
4704
#. i18n: ectx: property (text), item, widget (QComboBox, dataPointCombo)
4683
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1457
4708
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1489
4684
4709
#. i18n: ectx: property (text), item, widget (QComboBox, dataPointCombo)
4688
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1462
4713
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1494
4689
4714
#. i18n: ectx: property (text), item, widget (QComboBox, dataPointCombo)
4693
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1467
4718
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1499
4694
4719
#. i18n: ectx: property (text), item, widget (QComboBox, dataPointCombo)
4698
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1472
4723
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1504
4699
4724
#. i18n: ectx: property (text), item, widget (QComboBox, dataPointCombo)
4703
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1522
4728
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1554
4704
4729
#. i18n: ectx: property (text), item, widget (QComboBox, dataCoordinateCombo)
4705
4730
msgid "Unique cartesian Coords."
4708
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1527
4733
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1559
4709
4734
#. i18n: ectx: property (text), item, widget (QComboBox, dataCoordinateCombo)
4710
4735
msgid "Hilderbrant internals"
4713
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1532
4738
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1564
4714
4739
#. i18n: ectx: property (text), item, widget (QComboBox, dataCoordinateCombo)
4715
4740
msgid "Cartesian coordinates"
4718
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1542
4743
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1574
4719
4744
#. i18n: ectx: property (text), item, widget (QComboBox, dataCoordinateCombo)
4720
4745
msgid "MOPAC Z-Matrix"
4723
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1565
4748
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1597
4724
4749
#. i18n: ectx: property (text), widget (QCheckBox, dataSymmetryCheck)
4725
4750
msgid "Use Symmetry During Calculation"
4728
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1575
4753
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1607
4729
4754
#. i18n: ectx: property (text), widget (QLabel, label_12)
4733
4758
#. i18n: file: src/extensions/quantuminput/daltoninputdialog.ui:81
4734
4759
#. i18n: ectx: property (text), widget (QLabel, title)
4735
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1582
4760
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1614
4736
4761
#. i18n: ectx: property (text), widget (QLabel, label_10)
4737
#. i18n: file: src/extensions/quantuminput/gaussianinputdialog.ui:30
4762
#. i18n: file: src/extensions/quantuminput/gamessukinputdialog.ui:30
4763
#. i18n: ectx: property (text), widget (QLabel, label_7)
4764
#. i18n: file: src/extensions/quantuminput/gaussianinputdialog.ui:31
4738
4765
#. i18n: ectx: property (text), widget (QLabel, label_7)
4739
4766
#. i18n: file: src/extensions/quantuminput/molproinputdialog.ui:31
4740
4767
#. i18n: ectx: property (text), widget (QLabel, label_7)
4741
#. i18n: file: src/extensions/quantuminput/mopacinputdialog.ui:30
4768
#. i18n: file: src/extensions/quantuminput/mopacinputdialog.ui:31
4742
4769
#. i18n: ectx: property (text), widget (QLabel, label_7)
4743
4770
#. i18n: file: src/extensions/quantuminput/nwcheminputdialog.ui:31
4744
4771
#. i18n: ectx: property (text), widget (QLabel, label_7)
4752
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1639
4779
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1671
4753
4780
#. i18n: ectx: property (text), widget (QLabel, label_14)
4754
4781
msgid "Point Group:"
4757
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1666
4784
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1698
4758
4785
#. i18n: ectx: property (text), item, widget (QComboBox, systemTimeCombo)
4759
4786
msgid "Minutes"
4762
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1671
4789
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1703
4763
4790
#. i18n: ectx: property (text), item, widget (QComboBox, systemTimeCombo)
4767
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1676
4794
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1708
4768
4795
#. i18n: ectx: property (text), item, widget (QComboBox, systemTimeCombo)
4772
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1681
4799
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1713
4773
4800
#. i18n: ectx: property (text), item, widget (QComboBox, systemTimeCombo)
4777
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1686
4804
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1718
4778
4805
#. i18n: ectx: property (text), item, widget (QComboBox, systemTimeCombo)
4782
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1691
4809
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1723
4783
4810
#. i18n: ectx: property (text), item, widget (QComboBox, systemTimeCombo)
4784
4811
msgid "Millenia"
4787
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1720
4814
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1752
4788
4815
#. i18n: ectx: property (text), item, widget (QComboBox, systemMemoryCombo)
4789
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1764
4816
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1796
4790
4817
#. i18n: ectx: property (text), item, widget (QComboBox, systemDDICombo)
4791
4818
msgid "MegaWords"
4794
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1725
4821
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1757
4795
4822
#. i18n: ectx: property (text), item, widget (QComboBox, systemMemoryCombo)
4796
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1769
4823
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1801
4797
4824
#. i18n: ectx: property (text), item, widget (QComboBox, systemDDICombo)
4798
4825
msgid "MegaBytes"
4801
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1730
4828
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1762
4802
4829
#. i18n: ectx: property (text), item, widget (QComboBox, systemMemoryCombo)
4803
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1774
4830
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1806
4804
4831
#. i18n: ectx: property (text), item, widget (QComboBox, systemDDICombo)
4805
4832
msgid "GigaWords"
4808
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1735
4835
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1767
4809
4836
#. i18n: ectx: property (text), item, widget (QComboBox, systemMemoryCombo)
4810
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1779
4837
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1811
4811
4838
#. i18n: ectx: property (text), item, widget (QComboBox, systemDDICombo)
4812
4839
msgid "GigaBytes"
4815
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1807
4842
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1839
4816
4843
#. i18n: ectx: property (text), widget (QCheckBox, systemForceCheck)
4817
4844
msgid "Force Parallel Methods"
4820
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1830
4847
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1862
4821
4848
#. i18n: ectx: property (text), widget (QCheckBox, systemCoreCheck)
4822
4849
msgid "Produce \"core\" file upon abort"
4825
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1848
4852
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1880
4826
4853
#. i18n: ectx: property (text), item, widget (QComboBox, systemDiagonalizationCombo)
4830
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1853
4857
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1885
4831
4858
#. i18n: ectx: property (text), item, widget (QComboBox, systemDiagonalizationCombo)
4835
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1858
4862
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1890
4836
4863
#. i18n: ectx: property (text), item, widget (QComboBox, systemDiagonalizationCombo)
4840
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1866
4867
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1898
4841
4868
#. i18n: ectx: property (text), widget (QLabel, label_36)
4842
4869
msgid "Time Limit:"
4845
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1873
4872
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1905
4846
4873
#. i18n: ectx: property (text), widget (QLabel, label_38)
4847
4874
msgid "MemDDI:"
4850
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1880
4877
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1912
4851
4878
#. i18n: ectx: property (text), widget (QLabel, label_37)
4852
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2466
4879
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2498
4853
4880
#. i18n: ectx: property (text), widget (QLabel, label_43)
4854
4881
msgid "Memory:"
4857
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1887
4884
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1919
4858
4885
#. i18n: ectx: property (text), widget (QLabel, label_39)
4859
4886
msgid "Diagonalization Method:"
4862
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1894
4889
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1926
4863
4890
#. i18n: ectx: property (title), widget (QGroupBox, systemParallelGroup)
4864
4891
msgid "Parallel Load Balance Type"
4867
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1900
4894
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1932
4868
4895
#. i18n: ectx: property (text), widget (QRadioButton, systemLoopRadio)
4869
4896
msgctxt "\"Loop\" load balancing - set static node assignments"
4873
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1910
4900
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1942
4874
4901
#. i18n: ectx: property (text), widget (QRadioButton, systemNextRadio)
4875
4902
msgctxt "\"Next Value\" load balancing - dynamically assign nodes work"
4876
4903
msgid "Next Value"
4879
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1923
4906
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1955
4880
4907
#. i18n: ectx: property (text), widget (QCheckBox, systemExternalCheck)
4881
4908
msgid "Use External Data Representation for Messages"
4884
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1979
4911
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2011
4885
4912
#. i18n: ectx: property (text), widget (QLabel, label_4)
4886
4913
msgid "Initial Guess:"
4889
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1990
4916
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2022
4890
4917
#. i18n: ectx: property (text), item, widget (QComboBox, moGuessInitialCombo)
4894
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:1995
4921
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2027
4895
4922
#. i18n: ectx: property (text), item, widget (QComboBox, moGuessInitialCombo)
4899
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2000
4926
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2032
4900
4927
#. i18n: ectx: property (text), item, widget (QComboBox, moGuessInitialCombo)
4901
4928
msgid "MO Read ($VEC)"
4904
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2005
4931
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2037
4905
4932
#. i18n: ectx: property (text), item, widget (QComboBox, moGuessInitialCombo)
4906
4933
msgid "MO Saved (DICTNRY)"
4909
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2010
4936
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2042
4910
4937
#. i18n: ectx: property (text), item, widget (QComboBox, moGuessInitialCombo)
4914
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2033
4941
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2065
4915
4942
#. i18n: ectx: property (text), widget (QCheckBox, moGuessRotateCheck)
4916
4943
msgid "Rotate Alpha and Beta Orbitals"
4919
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2040
4946
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2072
4920
4947
#. i18n: ectx: property (text), widget (QCheckBox, moGuessPrintCheck)
4921
4948
msgid "Print the Initial Guess"
4924
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2064
4951
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2096
4925
4952
#. i18n: ectx: property (title), widget (QGroupBox, miscInterfaceGroup)
4926
4953
msgid "GAMESS Interface to Other Codes"
4929
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2070
4956
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2102
4930
4957
#. i18n: ectx: property (text), widget (QCheckBox, miscMolPltCheck)
4934
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2077
4961
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2109
4935
4962
#. i18n: ectx: property (text), widget (QCheckBox, miscPltOrbCheck)
4939
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2084
4966
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2116
4940
4967
#. i18n: ectx: property (text), widget (QCheckBox, miscAIMPACCheck)
4944
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2091
4971
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2123
4945
4972
#. i18n: ectx: property (text), widget (QCheckBox, miscRPACCheck)
4949
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2101
4976
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2133
4950
4977
#. i18n: ectx: property (title), widget (QGroupBox, miscForceGroup)
4951
4978
msgid "Force a Check Run Type"
4954
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2117
4981
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2149
4955
4982
#. i18n: ectx: property (text), widget (QRadioButton, miscHondoRadio)
4956
4983
msgid "Hondo 8.2"
4959
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2124
4986
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2156
4960
4987
#. i18n: ectx: property (text), widget (QRadioButton, miscMELDFRadio)
4964
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2131
4991
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2163
4965
4992
#. i18n: ectx: property (text), widget (QRadioButton, miscGamessRadio)
4966
4993
msgid "GAMESS (UK Version)"
4969
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2138
4996
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2170
4970
4997
#. i18n: ectx: property (text), widget (QRadioButton, miscGaussianRadio)
4971
4998
msgid "Gaussian 9x"
4974
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2145
5001
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2177
4975
5002
#. i18n: ectx: property (text), widget (QRadioButton, miscAllRadio)
4979
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2170
5006
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2202
4980
5007
#. i18n: ectx: property (text), widget (QCheckBox, miscWaterCheck)
4981
5008
msgid "Solvate with Water"
4984
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2209
5011
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2241
4985
5012
#. i18n: ectx: property (text), widget (QCheckBox, scfGenerateCheck)
4986
5013
msgid "Generate UHF Natural Orbitals"
4989
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2216
5016
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2248
4990
5017
#. i18n: ectx: property (text), widget (QCheckBox, scfDirectCheck)
4991
5018
msgid "Direct SCF"
4994
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2223
5021
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2255
4995
5022
#. i18n: ectx: property (text), widget (QCheckBox, scfComputeCheck)
4996
5023
msgid "Compute Only Changed in Fock Matrix"
4999
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2250
5026
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2282
5000
5027
#. i18n: ectx: property (text), item, widget (QComboBox, dftFunctionalCombo)
5001
5028
msgid "Slater exchange"
5004
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2255
5031
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2287
5005
5032
#. i18n: ectx: property (text), item, widget (QComboBox, dftFunctionalCombo)
5006
5033
msgid "Becke 1988 exchange"
5009
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2260
5036
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2292
5010
5037
#. i18n: ectx: property (text), item, widget (QComboBox, dftFunctionalCombo)
5011
5038
msgid "VWN: Vosko-Wilk-Nusair (VWN5) correlation"
5014
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2265
5041
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2297
5015
5042
#. i18n: ectx: property (text), item, widget (QComboBox, dftFunctionalCombo)
5016
5043
msgid "LYP: Lee-Yang-Parr correlation"
5019
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2270
5046
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2302
5020
5047
#. i18n: ectx: property (text), item, widget (QComboBox, dftFunctionalCombo)
5021
5048
msgid "SVWN: Slater exchange + VWN correlation"
5024
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2275
5051
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2307
5025
5052
#. i18n: ectx: property (text), item, widget (QComboBox, dftFunctionalCombo)
5026
5053
msgid "BVWN: BECKE exchange + VWN5 correlation"
5029
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2280
5056
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2312
5030
5057
#. i18n: ectx: property (text), item, widget (QComboBox, dftFunctionalCombo)
5031
5058
msgid "BLYP: BECKE exchange + LYP correlation"
5034
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2290
5061
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2322
5035
5062
#. i18n: ectx: property (text), item, widget (QComboBox, dftFunctionalCombo)
5036
5063
msgid "Gill 1996 exchange"
5039
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2295
5066
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2327
5040
5067
#. i18n: ectx: property (text), item, widget (QComboBox, dftFunctionalCombo)
5041
5068
msgid "Perdew-Burke-Ernzerhof (PBE) exchange"
5044
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2300
5071
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2332
5045
5072
#. i18n: ectx: property (text), item, widget (QComboBox, dftFunctionalCombo)
5046
5073
msgid "OP: One-parameter Progressive correlation"
5049
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2305
5076
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2337
5050
5077
#. i18n: ectx: property (text), item, widget (QComboBox, dftFunctionalCombo)
5051
5078
msgid "SLYP: SLATER + Lee-Yang-Parr (LYP) correlation"
5054
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2310
5081
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2342
5055
5082
#. i18n: ectx: property (text), item, widget (QComboBox, dftFunctionalCombo)
5056
5083
msgid "SOP: SLATER + OP correlation"
5059
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2315
5086
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2347
5060
5087
#. i18n: ectx: property (text), item, widget (QComboBox, dftFunctionalCombo)
5061
5088
msgid "BOP: BECKE exchange + OP correlation"
5064
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2320
5091
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2352
5065
5092
#. i18n: ectx: property (text), item, widget (QComboBox, dftFunctionalCombo)
5066
5093
msgid "BVWN: GILL exchange + VWN5 correlation"
5069
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2325
5096
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2357
5070
5097
#. i18n: ectx: property (text), item, widget (QComboBox, dftFunctionalCombo)
5071
5098
msgid "GLYP: GILL exchange + LYP correlation"
5074
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2330
5101
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2362
5075
5102
#. i18n: ectx: property (text), item, widget (QComboBox, dftFunctionalCombo)
5076
5103
msgid "PBEVWN: PBE exchange + VWN6 correlation"
5079
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2335
5106
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2367
5080
5107
#. i18n: ectx: property (text), item, widget (QComboBox, dftFunctionalCombo)
5081
5108
msgid "PBELYP: PBE exchange +LYP correlation"
5084
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2340
5111
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2372
5085
5112
#. i18n: ectx: property (text), item, widget (QComboBox, dftFunctionalCombo)
5086
5113
msgid "PBEOP: PBE exchange + OP correlation"
5089
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2345
5116
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2377
5090
5117
#. i18n: ectx: property (text), item, widget (QComboBox, dftFunctionalCombo)
5091
5118
msgid "BHHLYP: HF and BECKE exchange + LYP correlation"
5094
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2371
5121
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2403
5095
5122
#. i18n: ectx: property (text), item, widget (QComboBox, dftMethodCombo)
5099
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2376
5126
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2408
5100
5127
#. i18n: ectx: property (text), item, widget (QComboBox, dftMethodCombo)
5101
5128
msgid "Grid-Free"
5104
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2399
5131
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2431
5105
5132
#. i18n: ectx: property (text), widget (QLabel, label_41)
5133
#. i18n: file: src/extensions/quantuminput/gamessukinputdialog.ui:224
5134
#. i18n: ectx: property (text), widget (QLabel, dftFunctionalLabel)
5106
5135
msgid "DFT Functional:"
5109
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2406
5138
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2438
5110
5139
#. i18n: ectx: property (text), widget (QLabel, label_40)
5111
#. i18n: file: src/extensions/quantuminput/mopacinputdialog.ui:186
5140
#. i18n: file: src/extensions/quantuminput/mopacinputdialog.ui:187
5112
5141
#. i18n: ectx: property (text), widget (QLabel, label_2)
5113
5142
msgid "Method:"
5116
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2430
5145
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2462
5117
5146
#. i18n: ectx: property (title), widget (QGroupBox, mp2IntegralGroup)
5118
5147
msgid "AO Integral Storage"
5121
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2439
5150
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2471
5122
5151
#. i18n: ectx: property (text), widget (QRadioButton, mp2DuplicatedRadio)
5123
5152
msgid "Duplicated on Each Node"
5126
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2446
5155
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2478
5127
5156
#. i18n: ectx: property (text), widget (QRadioButton, mp2DistributedRadio)
5128
5157
msgid "Distributed Across All Nodes"
5131
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2459
5160
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2491
5132
5161
#. i18n: ectx: property (text), widget (QLabel, label_45)
5136
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2473
5165
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2505
5137
5166
#. i18n: ectx: property (text), widget (QCheckBox, mp2ComputeCheck)
5138
5167
msgid "Compute MP2 Properties"
5141
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2480
5170
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2512
5142
5171
#. i18n: ectx: property (text), widget (QLabel, label_44)
5143
5172
msgid "Integral Retention Cutoff:"
5146
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2493
5175
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2525
5147
5176
#. i18n: ectx: property (text), widget (QCheckBox, mp2LocalizedCheck)
5148
5177
msgid "Use Localized Orbitals"
5151
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2500
5180
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2532
5152
5181
#. i18n: ectx: property (text), widget (QLabel, label_42)
5153
5182
msgid "# of Core Electrons:"
5156
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2507
5185
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2539
5157
5186
#. i18n: ectx: property (title), widget (QGroupBox, mp2TransformationGroup)
5158
5187
msgid "Transformation Method"
5161
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2516
5190
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2548
5162
5191
#. i18n: ectx: property (text), widget (QRadioButton, mp2TwoRadio)
5163
5192
msgid "Two Phase Bin Sort"
5166
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2523
5195
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2555
5167
5196
#. i18n: ectx: property (text), widget (QRadioButton, mp2SegmentedRadio)
5168
5197
msgid "Segmented Transformation"
5171
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2572
5200
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2604
5172
5201
#. i18n: ectx: property (text), widget (QRadioButton, hessianAnalyticRadio)
5173
5202
msgid "Analytic"
5176
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2582
5205
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2614
5177
5206
#. i18n: ectx: property (text), widget (QRadioButton, hessianNumericRadio)
5178
5207
msgid "Numeric"
5181
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2592
5210
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2624
5182
5211
#. i18n: ectx: property (text), widget (QCheckBox, hessianDoubleCheck)
5183
5212
msgid "Double Differenced Hessian"
5186
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2599
5215
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2631
5187
5216
#. i18n: ectx: property (text), widget (QCheckBox, hessianPrintCheck)
5188
5217
msgid "Print Internal Force Constants"
5191
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2606
5220
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2638
5192
5221
#. i18n: ectx: property (text), widget (QLabel, label_33)
5193
5222
msgid "Displacement Size:"
5196
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2613
5225
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2645
5197
5226
#. i18n: ectx: property (text), widget (QCheckBox, hessianPurifyCheck)
5198
5227
msgid "Purify Hessian"
5201
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2620
5230
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2652
5202
5231
#. i18n: ectx: property (text), widget (QLabel, label_31)
5203
5232
msgid "Frequency Scale Factor:"
5206
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2627
5235
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2659
5207
5236
#. i18n: ectx: property (text), widget (QLabel, label_32)
5211
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2661
5240
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2693
5212
5241
#. i18n: ectx: property (title), widget (QGroupBox, statPointHessianGroup)
5213
5242
msgid "Initial Hessian"
5216
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2667
5245
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2699
5217
5246
#. i18n: ectx: property (text), widget (QRadioButton, statPointGuessButton)
5218
5247
msgid "Guess (+ define)"
5221
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2674
5250
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2706
5222
5251
#. i18n: ectx: property (text), widget (QRadioButton, statPointReadButton)
5223
5252
msgid "Read (from $HESS)"
5226
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2691
5255
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2723
5227
5256
#. i18n: ectx: property (text), widget (QCheckBox, statPointUpdateCheck)
5228
5257
msgid "Update Step Size"
5231
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2701
5260
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2733
5232
5261
#. i18n: ectx: property (text), widget (QCheckBox, statPointPrintCheck)
5233
5262
msgid "Print Orbs at Each Iteration"
5236
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2708
5265
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2740
5237
5266
#. i18n: ectx: property (text), widget (QLabel, label_35)
5238
5267
msgid "Gradient Convergence Criteria:"
5241
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2737
5270
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2769
5242
5271
#. i18n: ectx: property (text), widget (QLabel, label_50)
5243
5272
msgid "Jump Size:"
5246
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2744
5275
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2776
5247
5276
#. i18n: ectx: property (text), widget (QCheckBox, statPointStationaryCheck)
5248
5277
msgid "Stationary Point"
5251
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2754
5280
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2786
5252
5281
#. i18n: ectx: property (text), widget (QLabel, label_51)
5253
5282
msgid "Optimization Method:"
5256
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2764
5285
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2796
5257
5286
#. i18n: ectx: property (title), widget (QGroupBox, groupBox_5)
5258
5287
msgid "Step Size"
5261
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2770
5290
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2802
5262
5291
#. i18n: ectx: property (text), widget (QLabel, label_47)
5263
5292
msgid "Maximum:"
5266
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2777
5295
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2809
5267
5296
#. i18n: ectx: property (text), widget (QLabel, label_48)
5268
5297
msgid "Minimum:"
5271
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2787
5300
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2819
5272
5301
#. i18n: ectx: property (text), widget (QLabel, label_49)
5273
5302
msgid "Initial:"
5276
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2831
5305
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2863
5277
5306
#. i18n: ectx: property (text), item, widget (QComboBox, statPointOptimizationCombo)
5278
5307
msgid "Newton-Raphson"
5281
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2836
5310
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2868
5282
5311
#. i18n: ectx: property (text), item, widget (QComboBox, statPointOptimizationCombo)
5283
5312
msgid "Rational Function Optimization"
5286
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2841
5315
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2873
5287
5316
#. i18n: ectx: property (text), item, widget (QComboBox, statPointOptimizationCombo)
5288
5317
msgid "Quadratic Approximation"
5291
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2846
5320
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2878
5292
5321
#. i18n: ectx: property (text), item, widget (QComboBox, statPointOptimizationCombo)
5293
5322
msgid "Schlegel (quasi-NR)"
5296
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2851
5325
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2883
5297
5326
#. i18n: ectx: property (text), item, widget (QComboBox, statPointOptimizationCombo)
5298
5327
msgid "Constrained Optimization"
5301
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2864
5330
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2896
5302
5331
#. i18n: ectx: property (text), widget (QLabel, label_53)
5306
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2886
5335
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2918
5307
5336
#. i18n: ectx: property (text), widget (QLabel, label_46)
5308
5337
msgid "Recalculate Hessian Every:"
5311
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2896
5340
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2928
5312
5341
#. i18n: ectx: property (text), widget (QLabel, label_52)
5313
5342
msgid "Follow Mode:"
5316
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2906
5345
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2938
5317
5346
#. i18n: ectx: property (text), widget (QLabel, label_34)
5318
5347
msgid "Maximum Steps:"
5321
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2939
5350
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2971
5322
5351
#. i18n: ectx: property (text), widget (QPushButton, resetAllButton)
5323
5352
msgid "Reset All"
5326
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2946
5355
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2978
5327
5356
#. i18n: ectx: property (text), widget (QPushButton, defaultsButton)
5328
5357
msgid "Defaults"
5331
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2969
5332
#. i18n: ectx: property (text), widget (QPushButton, computeButton)
5333
#. i18n: file: src/extensions/quantuminput/gaussianinputdialog.ui:528
5334
#. i18n: ectx: property (text), widget (QPushButton, computeButton)
5335
#. i18n: file: src/extensions/quantuminput/mopacinputdialog.ui:377
5336
#. i18n: ectx: property (text), widget (QPushButton, computeButton)
5337
#. i18n: file: src/extensions/quantuminput/qcheminputdialog.ui:476
5360
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:3001
5361
#. i18n: ectx: property (text), widget (QPushButton, computeButton)
5362
#. i18n: file: src/extensions/quantuminput/gaussianinputdialog.ui:532
5363
#. i18n: ectx: property (text), widget (QPushButton, computeButton)
5364
#. i18n: file: src/extensions/quantuminput/mopacinputdialog.ui:381
5365
#. i18n: ectx: property (text), widget (QPushButton, computeButton)
5366
#. i18n: file: src/extensions/quantuminput/qcheminputdialog.ui:479
5338
5367
#. i18n: ectx: property (text), widget (QPushButton, computeButton)
5339
5368
msgid "Compute..."
5342
#. i18n: file: src/extensions/quantuminput/daltoninputdialog.ui:1623
5343
#. i18n: ectx: property (text), widget (QPushButton, generateButton)
5344
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2976
5345
#. i18n: ectx: property (text), widget (QPushButton, generateButton)
5346
#. i18n: file: src/extensions/quantuminput/gaussianinputdialog.ui:535
5347
#. i18n: ectx: property (text), widget (QPushButton, generateButton)
5348
#. i18n: file: src/extensions/quantuminput/molproinputdialog.ui:466
5349
#. i18n: ectx: property (text), widget (QPushButton, generateButton)
5350
#. i18n: file: src/extensions/quantuminput/mopacinputdialog.ui:384
5351
#. i18n: ectx: property (text), widget (QPushButton, generateButton)
5352
#. i18n: file: src/extensions/quantuminput/nwcheminputdialog.ui:462
5353
#. i18n: ectx: property (text), widget (QPushButton, generateButton)
5354
#. i18n: file: src/extensions/quantuminput/qcheminputdialog.ui:483
5371
#. i18n: file: src/extensions/quantuminput/daltoninputdialog.ui:1626
5372
#. i18n: ectx: property (text), widget (QPushButton, generateButton)
5373
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:3008
5374
#. i18n: ectx: property (text), widget (QPushButton, generateButton)
5375
#. i18n: file: src/extensions/quantuminput/gamessukinputdialog.ui:519
5376
#. i18n: ectx: property (text), widget (QPushButton, generateButton)
5377
#. i18n: file: src/extensions/quantuminput/gaussianinputdialog.ui:539
5378
#. i18n: ectx: property (text), widget (QPushButton, generateButton)
5379
#. i18n: file: src/extensions/quantuminput/molproinputdialog.ui:510
5380
#. i18n: ectx: property (text), widget (QPushButton, generateButton)
5381
#. i18n: file: src/extensions/quantuminput/mopacinputdialog.ui:388
5382
#. i18n: ectx: property (text), widget (QPushButton, generateButton)
5383
#. i18n: file: src/extensions/quantuminput/nwcheminputdialog.ui:464
5384
#. i18n: ectx: property (text), widget (QPushButton, generateButton)
5385
#. i18n: file: src/extensions/quantuminput/qcheminputdialog.ui:486
5355
5386
#. i18n: ectx: property (text), widget (QPushButton, generateButton)
5356
5387
msgid "Generate..."
5359
5390
#. i18n: file: src/extensions/povraydialog.ui:118
5360
5391
#. i18n: ectx: property (text), widget (QPushButton, close)
5361
#. i18n: file: src/extensions/quantuminput/daltoninputdialog.ui:1630
5362
#. i18n: ectx: property (text), widget (QPushButton, closeButton)
5363
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:2983
5364
#. i18n: ectx: property (text), widget (QPushButton, closeButton)
5365
#. i18n: file: src/extensions/quantuminput/gaussianinputdialog.ui:542
5366
#. i18n: ectx: property (text), widget (QPushButton, closeButton)
5367
#. i18n: file: src/extensions/quantuminput/molproinputdialog.ui:473
5368
#. i18n: ectx: property (text), widget (QPushButton, closeButton)
5369
#. i18n: file: src/extensions/quantuminput/mopacinputdialog.ui:391
5370
#. i18n: ectx: property (text), widget (QPushButton, closeButton)
5371
#. i18n: file: src/extensions/quantuminput/nwcheminputdialog.ui:469
5372
#. i18n: ectx: property (text), widget (QPushButton, closeButton)
5373
#. i18n: file: src/extensions/quantuminput/qcheminputdialog.ui:490
5392
#. i18n: file: src/extensions/quantuminput/daltoninputdialog.ui:1633
5393
#. i18n: ectx: property (text), widget (QPushButton, closeButton)
5394
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:3015
5395
#. i18n: ectx: property (text), widget (QPushButton, closeButton)
5396
#. i18n: file: src/extensions/quantuminput/gamessukinputdialog.ui:526
5397
#. i18n: ectx: property (text), widget (QPushButton, closeButton)
5398
#. i18n: file: src/extensions/quantuminput/gaussianinputdialog.ui:546
5399
#. i18n: ectx: property (text), widget (QPushButton, closeButton)
5400
#. i18n: file: src/extensions/quantuminput/molproinputdialog.ui:517
5401
#. i18n: ectx: property (text), widget (QPushButton, closeButton)
5402
#. i18n: file: src/extensions/quantuminput/mopacinputdialog.ui:395
5403
#. i18n: ectx: property (text), widget (QPushButton, closeButton)
5404
#. i18n: file: src/extensions/quantuminput/nwcheminputdialog.ui:471
5405
#. i18n: ectx: property (text), widget (QPushButton, closeButton)
5406
#. i18n: file: src/extensions/quantuminput/qcheminputdialog.ui:493
5374
5407
#. i18n: ectx: property (text), widget (QPushButton, closeButton)
5378
#. i18n: file: src/extensions/quantuminput/gaussianinputdialog.ui:19
5411
#. i18n: file: src/extensions/quantuminput/gaussianinputdialog.ui:20
5379
5412
#. i18n: ectx: property (windowTitle), widget (QDialog, GaussianInputDialog)
5380
5413
msgid "Gaussian Input"
5383
#. i18n: file: src/extensions/quantuminput/gaussianinputdialog.ui:47
5416
#. i18n: file: src/extensions/quantuminput/gamessukinputdialog.ui:51
5417
#. i18n: ectx: property (text), widget (QLabel, label)
5418
#. i18n: file: src/extensions/quantuminput/gaussianinputdialog.ui:48
5384
5419
#. i18n: ectx: property (text), widget (QLabel, label)
5385
5420
#. i18n: file: src/extensions/quantuminput/molproinputdialog.ui:48
5386
5421
#. i18n: ectx: property (text), widget (QLabel, label)
5387
#. i18n: file: src/extensions/quantuminput/mopacinputdialog.ui:47
5422
#. i18n: file: src/extensions/quantuminput/mopacinputdialog.ui:48
5388
5423
#. i18n: ectx: property (text), widget (QLabel, label)
5389
5424
#. i18n: file: src/extensions/quantuminput/nwcheminputdialog.ui:48
5390
5425
#. i18n: ectx: property (text), widget (QLabel, label)
5436
#. i18n: file: src/extensions/quantuminput/gaussianinputdialog.ui:233
5437
#. i18n: ectx: property (text), item, widget (QComboBox, basisCombo)
5438
#. i18n: file: src/extensions/quantuminput/nwcheminputdialog.ui:227
5439
#. i18n: ectx: property (text), item, widget (QComboBox, basisCombo)
5440
#. i18n: file: src/extensions/quantuminput/qcheminputdialog.ui:242
5473
#. i18n: file: src/extensions/quantuminput/gaussianinputdialog.ui:237
5474
#. i18n: ectx: property (text), item, widget (QComboBox, basisCombo)
5475
#. i18n: file: src/extensions/quantuminput/nwcheminputdialog.ui:230
5476
#. i18n: ectx: property (text), item, widget (QComboBox, basisCombo)
5477
#. i18n: file: src/extensions/quantuminput/qcheminputdialog.ui:245
5441
5478
#. i18n: ectx: property (text), item, widget (QComboBox, basisCombo)
5442
5479
msgid "LANL2DZ"
5445
#. i18n: file: src/extensions/quantuminput/gaussianinputdialog.ui:256
5446
#. i18n: ectx: property (text), widget (QLabel, label_3)
5447
#. i18n: file: src/extensions/quantuminput/molproinputdialog.ui:260
5448
#. i18n: ectx: property (text), widget (QLabel, label_3)
5449
#. i18n: file: src/extensions/quantuminput/mopacinputdialog.ui:96
5450
#. i18n: ectx: property (text), widget (QLabel, label_3)
5451
#. i18n: file: src/extensions/quantuminput/nwcheminputdialog.ui:250
5452
#. i18n: ectx: property (text), widget (QLabel, label_3)
5453
#. i18n: file: src/extensions/quantuminput/qcheminputdialog.ui:270
5482
#. i18n: file: src/extensions/quantuminput/gamessinputdialog.ui:300
5483
#. i18n: ectx: property (text), widget (QLabel, label_6)
5484
#. i18n: file: src/extensions/quantuminput/gamessukinputdialog.ui:291
5485
#. i18n: ectx: property (text), widget (QLabel, label_3)
5486
#. i18n: file: src/extensions/quantuminput/gaussianinputdialog.ui:260
5487
#. i18n: ectx: property (text), widget (QLabel, label_3)
5488
#. i18n: file: src/extensions/quantuminput/molproinputdialog.ui:263
5489
#. i18n: ectx: property (text), widget (QLabel, label_3)
5490
#. i18n: file: src/extensions/quantuminput/mopacinputdialog.ui:97
5491
#. i18n: ectx: property (text), widget (QLabel, label_3)
5492
#. i18n: file: src/extensions/quantuminput/nwcheminputdialog.ui:253
5493
#. i18n: ectx: property (text), widget (QLabel, label_3)
5494
#. i18n: file: src/extensions/quantuminput/qcheminputdialog.ui:273
5454
5495
#. i18n: ectx: property (text), widget (QLabel, label_3)
5455
5496
msgid "Charge:"
5458
#. i18n: file: src/extensions/quantuminput/gaussianinputdialog.ui:330
5499
#. i18n: file: src/extensions/quantuminput/gaussianinputdialog.ui:334
5459
5500
#. i18n: ectx: property (text), widget (QLabel, label_8)
5460
5501
msgid "Output:"
5463
#. i18n: file: src/extensions/quantuminput/gaussianinputdialog.ui:346
5504
#. i18n: file: src/extensions/quantuminput/gaussianinputdialog.ui:350
5464
5505
#. i18n: ectx: property (text), item, widget (QComboBox, outputCombo)
5465
5506
msgid "Standard"
5468
#. i18n: file: src/extensions/quantuminput/gaussianinputdialog.ui:351
5509
#. i18n: file: src/extensions/quantuminput/gaussianinputdialog.ui:355
5469
5510
#. i18n: ectx: property (text), item, widget (QComboBox, outputCombo)
5473
#. i18n: file: src/extensions/quantuminput/gaussianinputdialog.ui:356
5514
#. i18n: file: src/extensions/quantuminput/gaussianinputdialog.ui:360
5474
5515
#. i18n: ectx: property (text), item, widget (QComboBox, outputCombo)
5475
5516
msgid "Molekel"
5478
#. i18n: file: src/extensions/quantuminput/gaussianinputdialog.ui:379
5519
#. i18n: file: src/extensions/quantuminput/gaussianinputdialog.ui:383
5479
5520
#. i18n: ectx: property (text), widget (QLabel, label_9)
5480
5521
msgid "Checkpoint:"
5483
#. i18n: file: src/extensions/quantuminput/gaussianinputdialog.ui:396
5484
#. i18n: ectx: property (text), widget (QLabel, label_10)
5485
#. i18n: file: src/extensions/quantuminput/molproinputdialog.ui:334
5486
#. i18n: ectx: property (text), widget (QLabel, label_10)
5487
#. i18n: file: src/extensions/quantuminput/mopacinputdialog.ui:250
5488
#. i18n: ectx: property (text), widget (QLabel, label_10)
5489
#. i18n: file: src/extensions/quantuminput/nwcheminputdialog.ui:330
5490
#. i18n: ectx: property (text), widget (QLabel, label_10)
5491
#. i18n: file: src/extensions/quantuminput/qcheminputdialog.ui:344
5524
#. i18n: file: src/extensions/quantuminput/gamessukinputdialog.ui:371
5525
#. i18n: ectx: property (text), widget (QLabel, label_11)
5526
#. i18n: file: src/extensions/quantuminput/gaussianinputdialog.ui:400
5527
#. i18n: ectx: property (text), widget (QLabel, label_10)
5528
#. i18n: file: src/extensions/quantuminput/molproinputdialog.ui:337
5529
#. i18n: ectx: property (text), widget (QLabel, label_10)
5530
#. i18n: file: src/extensions/quantuminput/mopacinputdialog.ui:254
5531
#. i18n: ectx: property (text), widget (QLabel, label_10)
5532
#. i18n: file: src/extensions/quantuminput/nwcheminputdialog.ui:333
5533
#. i18n: ectx: property (text), widget (QLabel, label_10)
5534
#. i18n: file: src/extensions/quantuminput/qcheminputdialog.ui:347
5492
5535
#. i18n: ectx: property (text), widget (QLabel, label_10)
5493
5536
msgid "Format:"
5496
#. i18n: file: src/extensions/quantuminput/gaussianinputdialog.ui:415
5497
#. i18n: ectx: property (text), item, widget (QComboBox, coordCombo)
5498
#. i18n: file: src/extensions/quantuminput/molproinputdialog.ui:353
5499
#. i18n: ectx: property (text), item, widget (QComboBox, coordCombo)
5500
#. i18n: file: src/extensions/quantuminput/mopacinputdialog.ui:269
5501
#. i18n: ectx: property (text), item, widget (QComboBox, coordCombo)
5502
#. i18n: file: src/extensions/quantuminput/nwcheminputdialog.ui:349
5503
#. i18n: ectx: property (text), item, widget (QComboBox, coordCombo)
5504
#. i18n: file: src/extensions/quantuminput/qcheminputdialog.ui:363
5539
#. i18n: file: src/extensions/quantuminput/gamessukinputdialog.ui:387
5540
#. i18n: ectx: property (text), item, widget (QComboBox, coordCombo)
5541
#. i18n: file: src/extensions/quantuminput/gaussianinputdialog.ui:419
5542
#. i18n: ectx: property (text), item, widget (QComboBox, coordCombo)
5543
#. i18n: file: src/extensions/quantuminput/molproinputdialog.ui:356
5544
#. i18n: ectx: property (text), item, widget (QComboBox, coordCombo)
5545
#. i18n: file: src/extensions/quantuminput/mopacinputdialog.ui:273
5546
#. i18n: ectx: property (text), item, widget (QComboBox, coordCombo)
5547
#. i18n: file: src/extensions/quantuminput/nwcheminputdialog.ui:352
5548
#. i18n: ectx: property (text), item, widget (QComboBox, coordCombo)
5549
#. i18n: file: src/extensions/quantuminput/qcheminputdialog.ui:366
5505
5550
#. i18n: ectx: property (text), item, widget (QComboBox, coordCombo)
5506
5551
msgid "Cartesian"
5509
#. i18n: file: src/extensions/quantuminput/gaussianinputdialog.ui:420
5510
#. i18n: ectx: property (text), item, widget (QComboBox, coordCombo)
5511
#. i18n: file: src/extensions/quantuminput/molproinputdialog.ui:358
5512
#. i18n: ectx: property (text), item, widget (QComboBox, coordCombo)
5513
#. i18n: file: src/extensions/quantuminput/mopacinputdialog.ui:274
5514
#. i18n: ectx: property (text), item, widget (QComboBox, coordCombo)
5515
#. i18n: file: src/extensions/quantuminput/nwcheminputdialog.ui:354
5516
#. i18n: ectx: property (text), item, widget (QComboBox, coordCombo)
5517
#. i18n: file: src/extensions/quantuminput/qcheminputdialog.ui:368
5554
#. i18n: file: src/extensions/quantuminput/gamessukinputdialog.ui:392
5555
#. i18n: ectx: property (text), item, widget (QComboBox, coordCombo)
5556
#. i18n: file: src/extensions/quantuminput/gaussianinputdialog.ui:424
5557
#. i18n: ectx: property (text), item, widget (QComboBox, coordCombo)
5558
#. i18n: file: src/extensions/quantuminput/molproinputdialog.ui:361
5559
#. i18n: ectx: property (text), item, widget (QComboBox, coordCombo)
5560
#. i18n: file: src/extensions/quantuminput/mopacinputdialog.ui:278
5561
#. i18n: ectx: property (text), item, widget (QComboBox, coordCombo)
5562
#. i18n: file: src/extensions/quantuminput/nwcheminputdialog.ui:357
5563
#. i18n: ectx: property (text), item, widget (QComboBox, coordCombo)
5564
#. i18n: file: src/extensions/quantuminput/qcheminputdialog.ui:371
5518
5565
#. i18n: ectx: property (text), item, widget (QComboBox, coordCombo)
5519
5566
msgid "Z-matrix"
5522
#. i18n: file: src/extensions/quantuminput/gaussianinputdialog.ui:425
5523
#. i18n: ectx: property (text), item, widget (QComboBox, coordCombo)
5524
#. i18n: file: src/extensions/quantuminput/molproinputdialog.ui:363
5525
#. i18n: ectx: property (text), item, widget (QComboBox, coordCombo)
5526
#. i18n: file: src/extensions/quantuminput/nwcheminputdialog.ui:359
5527
#. i18n: ectx: property (text), item, widget (QComboBox, coordCombo)
5528
#. i18n: file: src/extensions/quantuminput/qcheminputdialog.ui:373
5569
#. i18n: file: src/extensions/quantuminput/gaussianinputdialog.ui:429
5570
#. i18n: ectx: property (text), item, widget (QComboBox, coordCombo)
5571
#. i18n: file: src/extensions/quantuminput/molproinputdialog.ui:366
5572
#. i18n: ectx: property (text), item, widget (QComboBox, coordCombo)
5573
#. i18n: file: src/extensions/quantuminput/nwcheminputdialog.ui:362
5574
#. i18n: ectx: property (text), item, widget (QComboBox, coordCombo)
5575
#. i18n: file: src/extensions/quantuminput/qcheminputdialog.ui:376
5529
5576
#. i18n: ectx: property (text), item, widget (QComboBox, coordCombo)
5530
5577
msgid "Z-matrix (compact)"
5533
#. i18n: file: src/extensions/quantuminput/daltoninputdialog.ui:1587
5534
#. i18n: ectx: property (text), widget (QPushButton, enableFormButton)
5535
#. i18n: file: src/extensions/quantuminput/gaussianinputdialog.ui:508
5536
#. i18n: ectx: property (text), widget (QPushButton, enableFormButton)
5537
#. i18n: file: src/extensions/quantuminput/molproinputdialog.ui:446
5538
#. i18n: ectx: property (text), widget (QPushButton, enableFormButton)
5539
#. i18n: file: src/extensions/quantuminput/mopacinputdialog.ui:357
5540
#. i18n: ectx: property (text), widget (QPushButton, enableFormButton)
5541
#. i18n: file: src/extensions/quantuminput/nwcheminputdialog.ui:442
5542
#. i18n: ectx: property (text), widget (QPushButton, enableFormButton)
5543
#. i18n: file: src/extensions/quantuminput/qcheminputdialog.ui:456
5580
#. i18n: file: src/extensions/quantuminput/daltoninputdialog.ui:1590
5581
#. i18n: ectx: property (text), widget (QPushButton, enableFormButton)
5582
#. i18n: file: src/extensions/quantuminput/gamessukinputdialog.ui:499
5583
#. i18n: ectx: property (text), widget (QPushButton, enableFormButton)
5584
#. i18n: file: src/extensions/quantuminput/gaussianinputdialog.ui:512
5585
#. i18n: ectx: property (text), widget (QPushButton, enableFormButton)
5586
#. i18n: file: src/extensions/quantuminput/molproinputdialog.ui:490
5587
#. i18n: ectx: property (text), widget (QPushButton, enableFormButton)
5588
#. i18n: file: src/extensions/quantuminput/mopacinputdialog.ui:361
5589
#. i18n: ectx: property (text), widget (QPushButton, enableFormButton)
5590
#. i18n: file: src/extensions/quantuminput/nwcheminputdialog.ui:444
5591
#. 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"