← Back to branch summary

~ubuntu-branches/ubuntu/trusty/gabedit/trusty-proposed

~ubuntu-branches/ubuntu/trusty/gabedit/trusty-proposed

Viewing all changes in revision 17.

Committer: Bazaar Package Importer
Author(s): Daniel Leidert (dale)
Date: 2010-02-28 18:28:17 UTC
mfrom: (1.3.12 upstream) (5.1.15 sid)
Revision ID: james.westby@ubuntu.com-20100228182817-9kqb8ihir2hj9eai

* New upstream release.
* debian/control (Standards-Version): Bumped to 3.8.4.

files added:
pixmaps/FireFly.xpm

pixmaps/FireFlyMini.xpm

src/FireFly

src/FireFly/Dep.mk

src/FireFly/FireFly.c

src/FireFly/FireFly.h

src/FireFly/FireFlyBasis.c

src/FireFly/FireFlyBasis.h

src/FireFly/FireFlyControl.c

src/FireFly/FireFlyControl.h

src/FireFly/FireFlyGlobal.h

src/FireFly/FireFlyGuess.c

src/FireFly/FireFlyGuess.h

src/FireFly/FireFlyMolecule.c

src/FireFly/FireFlyMolecule.h

src/FireFly/FireFlySCF.c

src/FireFly/FireFlySCF.h

src/FireFly/FireFlyTypes.h

src/FireFly/Makefile

src/Geometry/ccekgaaa.s

files removed:
pixmaps/PCGamess.xpm

pixmaps/PCGamessMini.xpm

src/PCGamess

src/PCGamess/Dep.mk

src/PCGamess/Makefile

src/PCGamess/PCGamess.c

src/PCGamess/PCGamess.h

src/PCGamess/PCGamessBasis.c

src/PCGamess/PCGamessBasis.h

src/PCGamess/PCGamessControl.c

src/PCGamess/PCGamessControl.h

src/PCGamess/PCGamessGlobal.h

src/PCGamess/PCGamessGuess.c

src/PCGamess/PCGamessGuess.h

src/PCGamess/PCGamessMolecule.c

src/PCGamess/PCGamessMolecule.h

src/PCGamess/PCGamessSCF.c

src/PCGamess/PCGamessSCF.h

src/PCGamess/PCGamessTypes.h

files modified:
ChangeLog

Makefile

debian/changelog

debian/control

gl2ps/Dep.mk

gl2ps/Makefile

gtkglarea/Dep.mk

gtkglarea/Makefile

src/Common/BasisGlobal.h

src/Common/Dep.mk

src/Common/Exit.c

src/Common/Gabedit.c

src/Common/GabeditType.h

src/Common/Global.h

src/Common/Help.c

src/Common/Help.h

src/Common/Install.c

src/Common/Install.h

src/Common/Makefile

src/Common/MenuToolBar.c

src/Common/Preferences.c

src/Common/Preferences.h

src/Common/Printer.c

src/Common/Printer.h

src/Common/Run.c

src/Common/Run.h

src/Common/SplashScreen.c

src/Common/SplashScreen.h

src/Common/Status.c

src/Common/Status.h

src/Common/StockIcons.c

src/Common/StockIcons.h

src/Common/TextEdit.c

src/Common/TextEdit.h

src/Common/Windows.c

src/Common/Windows.h

src/Files/Dep.mk

src/Files/FileChooser.c

src/Files/FileChooser.h

src/Files/FolderChooser.c

src/Files/GabeditFileChooser.c

src/Files/GabeditFileChooser.h

src/Files/GabeditFolderChooser.c

src/Files/GabeditFolderChooser.h

src/Files/ListeFiles.c

src/Files/ListeFiles.h

src/Files/Makefile

src/Gamess/Dep.mk

src/Gamess/Gamess.c

src/Gamess/Gamess.h

src/Gamess/GamessBasis.c

src/Gamess/GamessControl.c

src/Gamess/GamessGuess.c

src/Gamess/GamessMolecule.c

src/Gamess/GamessSCF.c

src/Gamess/Makefile

src/Gaussian/Dep.mk

src/Gaussian/GInterfaceBasis.c

src/Gaussian/GInterfaceBasis.h

src/Gaussian/GInterfaceGeom.c

src/Gaussian/GInterfaceGeom.h

src/Gaussian/GInterfaceLink.c

src/Gaussian/GInterfaceLink.h

src/Gaussian/GInterfaceMethodeBase.c

src/Gaussian/GInterfaceMethodeBase.h

src/Gaussian/GInterfaceRoute.c

src/Gaussian/GInterfaceRoute.h

src/Gaussian/GaussGlobal.h

src/Gaussian/Gaussian.c

src/Gaussian/Gaussian.h

src/Gaussian/Makefile

src/Geometry/BuildLinear.c

src/Geometry/BuildNanoTube.c

src/Geometry/BuildPolyNucleicAcid.c

src/Geometry/BuildPolyPeptide.c

src/Geometry/BuildPolySaccharide.c

src/Geometry/BuildRing.c

src/Geometry/BuildRoZPhi.c

src/Geometry/Dep.mk

src/Geometry/DrawGeom.c

src/Geometry/DrawGeom.h

src/Geometry/EnergiesCurves.c

src/Geometry/EnergiesCurves.h

src/Geometry/ExportGeom.c

src/Geometry/Fragments.c

src/Geometry/Fragments.h

src/Geometry/FragmentsPNA.c

src/Geometry/FragmentsPPD.c

src/Geometry/FragmentsPSC.c

src/Geometry/FragmentsSelector.c

src/Geometry/FragmentsTree.c

src/Geometry/GeomConversion.c

src/Geometry/GeomConversion.h

src/Geometry/GeomGlobal.h

src/Geometry/GeomXYZ.c

src/Geometry/GeomXYZ.h

src/Geometry/GeomZmatrix.c

src/Geometry/GeomZmatrix.h

src/Geometry/ImagesGeom.c

src/Geometry/InterfaceGeom.c

src/Geometry/InterfaceGeom.h

src/Geometry/LoadPersonalFragments.c

src/Geometry/Makefile

src/Geometry/Measure.c

src/Geometry/Measure.h

src/Geometry/MenuToolBarGeom.c

src/Geometry/OpenBabel.c

src/Geometry/PersonalFragments.c

src/Geometry/Povray.c

src/Geometry/PreviewGeom.c

src/Geometry/ResultsAnalise.c

src/Geometry/ResultsAnalise.h

src/Geometry/RotFragments.c

src/Geometry/SavePersonalFragments.c

src/Geometry/Symmetry.c

src/Geometry/Symmetry.h

src/Geometry/TreeMolecule.c

src/Geometry/TreeMolecule.h

src/IsotopeDistribution/Dep.mk

src/IsotopeDistribution/IsotopeDistributionCalculator.c

src/IsotopeDistribution/IsotopeDistributionCalculator.h

src/IsotopeDistribution/IsotopeDistributionCalculatorDlg.c

src/IsotopeDistribution/IsotopeDistributionCalculatorDlg.h

src/IsotopeDistribution/Makefile

src/MPQC/Dep.mk

src/MPQC/MPQC.c

src/MPQC/MPQC.h

src/MPQC/MPQCBasis.c

src/MPQC/MPQCBasisLibrary.c

src/MPQC/MPQCFunctionals.c

src/MPQC/MPQCGuessWaveFunction.c

src/MPQC/MPQCLib.c

src/MPQC/MPQCLib.h

src/MPQC/MPQCMole.c

src/MPQC/MPQCMolecule.c

src/MPQC/MPQCMpqc.c

src/MPQC/MPQCOptimisation.c

src/MPQC/MPQCProperties.c

src/MPQC/Makefile

src/Molcas/Dep.mk

src/Molcas/Makefile

src/Molcas/Molcas.c

src/Molcas/Molcas.h

src/Molcas/MolcasBasis.c

src/Molcas/MolcasBasis.h

src/Molcas/MolcasBasisLibrary.c

src/Molcas/MolcasGateWay.c

src/Molcas/MolcasGateWay.h

src/Molcas/MolcasGridIT.c

src/Molcas/MolcasGridIT.h

src/Molcas/MolcasLib.c

src/Molcas/MolcasLib.h

src/Molcas/MolcasOptimisation.c

src/Molcas/MolcasOptimisation.h

src/Molcas/MolcasScf.c

src/Molcas/MolcasScf.h

src/Molcas/MolcasSeward.c

src/Molcas/MolcasSeward.h

src/Molcas/MolcasVariables.c

src/Molcas/MolcasVariables.h

src/MolecularMechanics/Atom.c

src/MolecularMechanics/Atom.h

src/MolecularMechanics/CalculTypesAmber.c

src/MolecularMechanics/ConjugateGradient.c

src/MolecularMechanics/ConjugateGradient.h

src/MolecularMechanics/CreateDefaultPDBTpl.c

src/MolecularMechanics/CreateMolecularMechanicsFile.c

src/MolecularMechanics/CreatePersonalMMFile.c

src/MolecularMechanics/Dep.mk

src/MolecularMechanics/ForceField.c

src/MolecularMechanics/ForceField.h

src/MolecularMechanics/LoadMMParameters.c

src/MolecularMechanics/LoadPDBTemplate.c

src/MolecularMechanics/Makefile

src/MolecularMechanics/MolecularDynamics.c

src/MolecularMechanics/MolecularDynamics.h

src/MolecularMechanics/MolecularMechanics.c

src/MolecularMechanics/MolecularMechanics.h

src/MolecularMechanics/MolecularMechanicsDlg.c

src/MolecularMechanics/MolecularMechanicsDlg.h

src/MolecularMechanics/Molecule.c

src/MolecularMechanics/Molecule.h

src/MolecularMechanics/PDBTemplate.c

src/MolecularMechanics/QuasiNewton.c

src/MolecularMechanics/QuasiNewton.h

src/MolecularMechanics/SavePDBTemplate.c

src/MolecularMechanics/SetMMParameters.c

src/MolecularMechanics/SetPDBTemplate.c

src/MolecularMechanics/SteepestDescent.c

src/MolecularMechanics/SteepestDescent.h

src/Molpro/Dep.mk

src/Molpro/MInterfaceBasis.c

src/Molpro/MInterfaceBasis.h

src/Molpro/MInterfaceComm.c

src/Molpro/MInterfaceComm.h

src/Molpro/MInterfaceGene.c

src/Molpro/MInterfaceGene.h

src/Molpro/MInterfaceGeom.c

src/Molpro/MInterfaceGeom.h

src/Molpro/Makefile

src/Molpro/Molpro.c

src/Molpro/Molpro.h

src/Molpro/MolproBasisLibrary.c

src/Molpro/MolproLib.c

src/Molpro/MolproLib.h

src/Mopac/Dep.mk

src/Mopac/Makefile

src/Mopac/Mopac.c

src/Mopac/Mopac.h

src/Mopac/MopacMolecule.c

src/Mopac/MopacRem.c

src/MultiGrid/Dep.mk

src/MultiGrid/DomainMG.c

src/MultiGrid/GridMG.c

src/MultiGrid/Makefile

src/MultiGrid/PoissonMG.c

src/NetWork/Batch.c

src/NetWork/Batch.h

src/NetWork/Dep.mk

src/NetWork/FilesTransfer.c

src/NetWork/FilesTransfer.h

src/NetWork/Ftp.c

src/NetWork/Ftp.h

src/NetWork/Makefile

src/NetWork/Process.c

src/NetWork/Process.h

src/NetWork/RemoteCommand.c

src/NetWork/RemoteCommand.h

src/NetWork/Rsh.c

src/NetWork/Rsh.h

src/NetWork/Scp.c

src/NetWork/Ssh.c

src/OpenGL/AnimationContours.c

src/OpenGL/AnimationContours.h

src/OpenGL/AnimationGeomConv.c

src/OpenGL/AnimationGeomConv.h

src/OpenGL/AnimationIsoSurface.c

src/OpenGL/AnimationIsoSurface.h

src/OpenGL/AnimationMD.c

src/OpenGL/AnimationMD.h

src/OpenGL/AnimationPlanesMapped.c

src/OpenGL/AnimationPlanesMapped.h

src/OpenGL/AnimationRotation.c

src/OpenGL/AnimationRotation.h

src/OpenGL/AtomicOrbitals.c

src/OpenGL/AtomicOrbitals.h

src/OpenGL/AxisGL.c

src/OpenGL/Basis.c

src/OpenGL/Basis.h

src/OpenGL/BondsOrb.c

src/OpenGL/BondsOrb.h

src/OpenGL/CaptureOrbitals.c

src/OpenGL/CaptureOrbitals.h

src/OpenGL/ColorMap.c

src/OpenGL/ColorMap.h

src/OpenGL/Contours.c

src/OpenGL/Contours.h

src/OpenGL/ContoursDraw.c

src/OpenGL/ContoursDraw.h

src/OpenGL/ContoursPov.c

src/OpenGL/Cylinder.c

src/OpenGL/Cylinder.h

src/OpenGL/Dep.mk

src/OpenGL/Dipole.c

src/OpenGL/Dipole.h

src/OpenGL/ExportGL.c

src/OpenGL/GLArea.c

src/OpenGL/GLArea.h

src/OpenGL/GeomDraw.c

src/OpenGL/GeomDraw.h

src/OpenGL/GeomOrbXYZ.c

src/OpenGL/GeomOrbXYZ.h

src/OpenGL/GlobalOrb.h

src/OpenGL/Grid.c

src/OpenGL/Grid.h

src/OpenGL/GridAdfDensity.c

src/OpenGL/GridAdfOrbitals.c

src/OpenGL/GridCP.c

src/OpenGL/GridCP.h

src/OpenGL/GridCube.c

src/OpenGL/GridCube.h

src/OpenGL/GridMolcas.c

src/OpenGL/GridMolcas.h

src/OpenGL/GridPlans.c

src/OpenGL/GridPlans.h

src/OpenGL/GridQChem.c

src/OpenGL/GridQChem.h

src/OpenGL/Images.c

src/OpenGL/Images.h

src/OpenGL/IntegralOrbitals.c

src/OpenGL/IntegralOrbitals.h

src/OpenGL/IsoSurface.c

src/OpenGL/IsoSurface.h

src/OpenGL/LabelsGL.c

src/OpenGL/LabelsGL.h

src/OpenGL/Makefile

src/OpenGL/MenuToolBarGL.c

src/OpenGL/Orbitals.c

src/OpenGL/Orbitals.h

src/OpenGL/OrbitalsDalton.c

src/OpenGL/OrbitalsDalton.h

src/OpenGL/OrbitalsGamess.c

src/OpenGL/OrbitalsGamess.h

src/OpenGL/OrbitalsMolpro.c

src/OpenGL/OrbitalsMolpro.h

src/OpenGL/OrbitalsMopac.c

src/OpenGL/OrbitalsMopac.h

src/OpenGL/OrbitalsOrca.c

src/OpenGL/OrbitalsOrca.h

src/OpenGL/OrbitalsQChem.c

src/OpenGL/OrbitalsQChem.h

src/OpenGL/PlanesMapped.c

src/OpenGL/PlanesMapped.h

src/OpenGL/PlanesMappedDraw.c

src/OpenGL/PlanesMappedDraw.h

src/OpenGL/PlanesMappedPov.c

src/OpenGL/PovrayGL.c

src/OpenGL/PreferencesOrb.c

src/OpenGL/PreferencesOrb.h

src/OpenGL/PrincipalAxisGL.c

src/OpenGL/RingsOrb.c

src/OpenGL/RingsOrb.h

src/OpenGL/RingsPov.c

src/OpenGL/Sphere.c

src/OpenGL/Sphere.h

src/OpenGL/StatusOrb.c

src/OpenGL/StatusOrb.h

src/OpenGL/SurfacesPov.c

src/OpenGL/Textures.c

src/OpenGL/Textures.h

src/OpenGL/TriangleDraw.c

src/OpenGL/TriangleDraw.h

src/OpenGL/UtilsOrb.c

src/OpenGL/UtilsOrb.h

src/OpenGL/Vibration.c

src/OpenGL/Vibration.h

src/OpenGL/VibrationDraw.c

src/OpenGL/VibrationDraw.h

src/OpenGL/ViewOrb.c

src/OpenGL/ViewOrb.h

src/Orca/Dep.mk

src/Orca/Makefile

src/Orca/Orca.c

src/Orca/Orca.h

src/Orca/OrcaBasis.c

src/Orca/OrcaGuess.c

src/Orca/OrcaKeywords.c

src/Orca/OrcaMolecule.c

src/QChem/Dep.mk

src/QChem/Makefile

src/QChem/QChem.c

src/QChem/QChem.h

src/QChem/QChemBasis.c

src/QChem/QChemGuess.c

src/QChem/QChemLib.c

src/QChem/QChemLib.h

src/QChem/QChemMolecule.c

src/QChem/QChemRem.c

src/SemiEmpirical/AtomSE.c

src/SemiEmpirical/AtomSE.h

src/SemiEmpirical/Dep.mk

src/SemiEmpirical/Makefile

src/SemiEmpirical/MoleculeSE.c

src/SemiEmpirical/MoleculeSE.h

src/SemiEmpirical/SemiEmpirical.c

src/SemiEmpirical/SemiEmpirical.h

src/SemiEmpirical/SemiEmpiricalDlg.c

src/SemiEmpirical/SemiEmpiricalDlg.h

src/SemiEmpirical/SemiEmpiricalMD.c

src/SemiEmpirical/SemiEmpiricalMD.h

src/SemiEmpirical/SemiEmpiricalModel.c

src/SemiEmpirical/SemiEmpiricalModel.h

src/Spectrum/DOS.c

src/Spectrum/Dep.mk

src/Spectrum/ECDSpectrum.c

src/Spectrum/IRSpectrum.c

src/Spectrum/Makefile

src/Spectrum/NMRSpectrum.c

src/Spectrum/RamanSpectrum.c

src/Spectrum/SpectrumWin.c

src/Spectrum/SpectrumWin.h

src/Spectrum/UVSpectrum.c

src/Symmetry/Dep.mk

src/Symmetry/GenerateMolecule.c

src/Symmetry/GenerateMolecule.h

src/Symmetry/Makefile

src/Symmetry/MoleculeSymmetry.c

src/Symmetry/MoleculeSymmetry.h

src/Symmetry/MoleculeSymmetryInterface.c

src/Symmetry/MoleculeSymmetryInterface.h

src/Symmetry/PolyHedralOperators.c

src/Symmetry/PolyHedralOperators.h

src/Symmetry/PrincipalAxis.c

src/Symmetry/PrincipalAxis.h

src/Symmetry/ReduceMolecule.c

src/Symmetry/ReduceMolecule.h

src/Symmetry/ReducePolyHedralMolecule.c

src/Symmetry/ReducePolyHedralMolecule.h

src/Symmetry/SymmetryOperators.c

src/Symmetry/SymmetryOperators.h

src/Utils/AtomsProp.c

src/Utils/AtomsProp.h

src/Utils/ConvUtils.c

src/Utils/Dep.mk

src/Utils/GTF.c

src/Utils/GabeditTextEdit.c

src/Utils/GabeditTextEdit.h

src/Utils/GabeditXYPlot.c

src/Utils/GabeditXYPlot.h

src/Utils/GabeditXYPlotWin.c

src/Utils/GabeditXYPlotWin.h

src/Utils/HydrogenBond.c

src/Utils/Jacobi.c

src/Utils/Jacobi.h

src/Utils/Makefile

src/Utils/Matrix3D.c

src/Utils/Matrix3D.h

src/Utils/PovrayUtils.c

src/Utils/TTables.c

src/Utils/TTables.h

src/Utils/Transformation.c

src/Utils/Transformation.h

src/Utils/Utils.c

src/Utils/Utils.h

src/Utils/UtilsCairo.c

src/Utils/UtilsCairo.h

src/Utils/UtilsGL.c

src/Utils/UtilsGL.h

src/Utils/UtilsInterface.c

src/Utils/UtilsInterface.h

src/Utils/Vector3d.c

src/Utils/Vector3d.h

src/Utils/Zlm.c

src/VibrationalCorrections/Dep.mk

src/VibrationalCorrections/GabeditGaussianInput.c

src/VibrationalCorrections/GabeditGaussianInput.h

src/VibrationalCorrections/Makefile

utils/Others/xChangeDate

Show diffs side-by-side

added added

removed removed

debian/changelog

gtkglarea/Dep.mk

gtkglarea/Makefile

pixmaps/FireFly.xpm

pixmaps/FireFlyMini.xpm

pixmaps/PCGamess.xpm

pixmaps/PCGamessMini.xpm

src/Common/BasisGlobal.h

src/Common/Dep.mk

src/Common/Exit.c

src/Common/Gabedit.c

src/Common/GabeditType.h

src/Common/Global.h

src/Common/Help.c

src/Common/Help.h

src/Common/Install.c

src/Common/Install.h

src/Common/Makefile

src/Common/MenuToolBar.c

src/Common/Preferences.c

src/Common/Preferences.h

src/Common/Printer.c

src/Common/Printer.h

src/Common/Run.c

src/Common/Run.h

src/Common/SplashScreen.c

src/Common/SplashScreen.h

src/Common/Status.c

src/Common/Status.h

src/Common/StockIcons.c

src/Common/StockIcons.h

src/Common/TextEdit.c

src/Common/TextEdit.h

src/Common/Windows.c

src/Common/Windows.h

src/Files/Dep.mk

src/Files/FileChooser.c

src/Files/FileChooser.h

src/Files/FolderChooser.c

src/Files/GabeditFileChooser.c

src/Files/GabeditFileChooser.h

src/Files/GabeditFolderChooser.c

src/Files/GabeditFolderChooser.h

src/Files/ListeFiles.c

src/Files/ListeFiles.h

src/Files/Makefile

src/FireFly/Dep.mk

src/FireFly/FireFly.c

src/FireFly/FireFly.h

src/FireFly/FireFlyBasis.c

src/FireFly/FireFlyBasis.h

src/FireFly/FireFlyControl.c

src/FireFly/FireFlyControl.h

src/FireFly/FireFlyGlobal.h

src/FireFly/FireFlyGuess.c

src/FireFly/FireFlyGuess.h

src/FireFly/FireFlyMolecule.c

src/FireFly/FireFlyMolecule.h

src/FireFly/FireFlySCF.c

src/FireFly/FireFlySCF.h

src/FireFly/FireFlyTypes.h

src/FireFly/Makefile

src/Gamess/Dep.mk

src/Gamess/Gamess.c

src/Gamess/Gamess.h

src/Gamess/GamessBasis.c

src/Gamess/GamessControl.c

src/Gamess/GamessGuess.c

src/Gamess/GamessMolecule.c

src/Gamess/GamessSCF.c

src/Gamess/Makefile

src/Gaussian/Dep.mk

src/Gaussian/GInterfaceBasis.c

src/Gaussian/GInterfaceBasis.h

src/Gaussian/GInterfaceGeom.c

src/Gaussian/GInterfaceGeom.h

src/Gaussian/GInterfaceLink.c

src/Gaussian/GInterfaceLink.h

src/Gaussian/GInterfaceMethodeBase.c

src/Gaussian/GInterfaceMethodeBase.h

src/Gaussian/GInterfaceRoute.c

src/Gaussian/GInterfaceRoute.h

src/Gaussian/GaussGlobal.h

src/Gaussian/Gaussian.c

src/Gaussian/Gaussian.h

src/Gaussian/Makefile

src/Geometry/BuildLinear.c

src/Geometry/BuildNanoTube.c

src/Geometry/BuildPolyNucleicAcid.c

src/Geometry/BuildPolyPeptide.c

src/Geometry/BuildPolySaccharide.c

src/Geometry/BuildRing.c

src/Geometry/BuildRoZPhi.c

src/Geometry/Dep.mk

src/Geometry/DrawGeom.c

src/Geometry/DrawGeom.h

src/Geometry/EnergiesCurves.c

src/Geometry/EnergiesCurves.h

src/Geometry/ExportGeom.c

src/Geometry/Fragments.c

src/Geometry/Fragments.h

src/Geometry/FragmentsPNA.c

src/Geometry/FragmentsPPD.c

src/Geometry/FragmentsPSC.c

src/Geometry/FragmentsSelector.c

src/Geometry/FragmentsTree.c

src/Geometry/GeomConversion.c

src/Geometry/GeomConversion.h

src/Geometry/GeomGlobal.h

src/Geometry/GeomXYZ.c

src/Geometry/GeomXYZ.h

src/Geometry/GeomZmatrix.c

src/Geometry/GeomZmatrix.h

src/Geometry/ImagesGeom.c

src/Geometry/InterfaceGeom.c

src/Geometry/InterfaceGeom.h

src/Geometry/LoadPersonalFragments.c

src/Geometry/Makefile

src/Geometry/Measure.c

src/Geometry/Measure.h

src/Geometry/MenuToolBarGeom.c

src/Geometry/OpenBabel.c

src/Geometry/PersonalFragments.c

src/Geometry/Povray.c

src/Geometry/PreviewGeom.c

src/Geometry/ResultsAnalise.c

src/Geometry/ResultsAnalise.h

src/Geometry/RotFragments.c

src/Geometry/SavePersonalFragments.c

src/Geometry/Symmetry.c

src/Geometry/Symmetry.h

src/Geometry/TreeMolecule.c

src/Geometry/TreeMolecule.h

src/Geometry/ccekgaaa.s

src/IsotopeDistribution/Dep.mk

src/IsotopeDistribution/IsotopeDistributionCalculator.c

src/IsotopeDistribution/IsotopeDistributionCalculator.h

src/IsotopeDistribution/IsotopeDistributionCalculatorDlg.c

src/IsotopeDistribution/IsotopeDistributionCalculatorDlg.h

src/IsotopeDistribution/Makefile

src/MPQC/Dep.mk

src/MPQC/MPQC.c

src/MPQC/MPQC.h

src/MPQC/MPQCBasis.c

src/MPQC/MPQCBasisLibrary.c

src/MPQC/MPQCFunctionals.c

src/MPQC/MPQCGuessWaveFunction.c

src/MPQC/MPQCLib.c

src/MPQC/MPQCLib.h

src/MPQC/MPQCMole.c

src/MPQC/MPQCMolecule.c

src/MPQC/MPQCMpqc.c

src/MPQC/MPQCOptimisation.c

src/MPQC/MPQCProperties.c

src/MPQC/Makefile

src/Molcas/Dep.mk

src/Molcas/Makefile

src/Molcas/Molcas.c

src/Molcas/Molcas.h

src/Molcas/MolcasBasis.c

src/Molcas/MolcasBasis.h

src/Molcas/MolcasBasisLibrary.c

src/Molcas/MolcasGateWay.c

src/Molcas/MolcasGateWay.h

src/Molcas/MolcasGridIT.c

src/Molcas/MolcasGridIT.h

src/Molcas/MolcasLib.c

src/Molcas/MolcasLib.h

src/Molcas/MolcasOptimisation.c

src/Molcas/MolcasOptimisation.h

src/Molcas/MolcasScf.c

src/Molcas/MolcasScf.h

src/Molcas/MolcasSeward.c

src/Molcas/MolcasSeward.h

src/Molcas/MolcasVariables.c

src/Molcas/MolcasVariables.h

src/MolecularMechanics/Atom.c

src/MolecularMechanics/Atom.h

src/MolecularMechanics/CalculTypesAmber.c

src/MolecularMechanics/ConjugateGradient.c

src/MolecularMechanics/ConjugateGradient.h

src/MolecularMechanics/CreateDefaultPDBTpl.c

src/MolecularMechanics/CreateMolecularMechanicsFile.c

src/MolecularMechanics/CreatePersonalMMFile.c

src/MolecularMechanics/Dep.mk

src/MolecularMechanics/ForceField.c

src/MolecularMechanics/ForceField.h

src/MolecularMechanics/LoadMMParameters.c

src/MolecularMechanics/LoadPDBTemplate.c

src/MolecularMechanics/Makefile

src/MolecularMechanics/MolecularDynamics.c

src/MolecularMechanics/MolecularDynamics.h

src/MolecularMechanics/MolecularMechanics.c

src/MolecularMechanics/MolecularMechanics.h

src/MolecularMechanics/MolecularMechanicsDlg.c

src/MolecularMechanics/MolecularMechanicsDlg.h

src/MolecularMechanics/Molecule.c

src/MolecularMechanics/Molecule.h

src/MolecularMechanics/PDBTemplate.c

src/MolecularMechanics/QuasiNewton.c

src/MolecularMechanics/QuasiNewton.h

src/MolecularMechanics/SavePDBTemplate.c

src/MolecularMechanics/SetMMParameters.c

src/MolecularMechanics/SetPDBTemplate.c

src/MolecularMechanics/SteepestDescent.c

src/MolecularMechanics/SteepestDescent.h

src/Molpro/Dep.mk

src/Molpro/MInterfaceBasis.c

src/Molpro/MInterfaceBasis.h

src/Molpro/MInterfaceComm.c

src/Molpro/MInterfaceComm.h

src/Molpro/MInterfaceGene.c

src/Molpro/MInterfaceGene.h

src/Molpro/MInterfaceGeom.c

src/Molpro/MInterfaceGeom.h

src/Molpro/Makefile

src/Molpro/Molpro.c

src/Molpro/Molpro.h

src/Molpro/MolproBasisLibrary.c

src/Molpro/MolproLib.c

src/Molpro/MolproLib.h

src/Mopac/Dep.mk

src/Mopac/Makefile

src/Mopac/Mopac.c

src/Mopac/Mopac.h

src/Mopac/MopacMolecule.c

src/Mopac/MopacRem.c

src/MultiGrid/Dep.mk

src/MultiGrid/DomainMG.c

src/MultiGrid/GridMG.c

src/MultiGrid/Makefile

src/MultiGrid/PoissonMG.c

src/NetWork/Batch.c

src/NetWork/Batch.h

src/NetWork/Dep.mk

src/NetWork/FilesTransfer.c

src/NetWork/FilesTransfer.h

src/NetWork/Ftp.c

src/NetWork/Ftp.h

src/NetWork/Makefile

src/NetWork/Process.c

src/NetWork/Process.h

src/NetWork/RemoteCommand.c

src/NetWork/RemoteCommand.h

src/NetWork/Rsh.c

src/NetWork/Rsh.h

src/NetWork/Scp.c

src/NetWork/Ssh.c

src/OpenGL/AnimationContours.c

src/OpenGL/AnimationContours.h

src/OpenGL/AnimationGeomConv.c

src/OpenGL/AnimationGeomConv.h

src/OpenGL/AnimationIsoSurface.c

src/OpenGL/AnimationIsoSurface.h

src/OpenGL/AnimationMD.c

src/OpenGL/AnimationMD.h

src/OpenGL/AnimationPlanesMapped.c

src/OpenGL/AnimationPlanesMapped.h

src/OpenGL/AnimationRotation.c

src/OpenGL/AnimationRotation.h

src/OpenGL/AtomicOrbitals.c

src/OpenGL/AtomicOrbitals.h

src/OpenGL/AxisGL.c

src/OpenGL/Basis.c

src/OpenGL/Basis.h

src/OpenGL/BondsOrb.c

src/OpenGL/BondsOrb.h

src/OpenGL/CaptureOrbitals.c

src/OpenGL/CaptureOrbitals.h

src/OpenGL/ColorMap.c

src/OpenGL/ColorMap.h

src/OpenGL/Contours.c

src/OpenGL/Contours.h

src/OpenGL/ContoursDraw.c

src/OpenGL/ContoursDraw.h

src/OpenGL/ContoursPov.c

src/OpenGL/Cylinder.c

src/OpenGL/Cylinder.h

src/OpenGL/Dep.mk

src/OpenGL/Dipole.c

src/OpenGL/Dipole.h

src/OpenGL/ExportGL.c

src/OpenGL/GLArea.c

src/OpenGL/GLArea.h

src/OpenGL/GeomDraw.c

src/OpenGL/GeomDraw.h

src/OpenGL/GeomOrbXYZ.c

src/OpenGL/GeomOrbXYZ.h

src/OpenGL/GlobalOrb.h

src/OpenGL/Grid.c

src/OpenGL/Grid.h

src/OpenGL/GridAdfDensity.c

src/OpenGL/GridAdfOrbitals.c

src/OpenGL/GridCP.c

src/OpenGL/GridCP.h

src/OpenGL/GridCube.c

src/OpenGL/GridCube.h

src/OpenGL/GridMolcas.c

src/OpenGL/GridMolcas.h

src/OpenGL/GridPlans.c

src/OpenGL/GridPlans.h

src/OpenGL/GridQChem.c

src/OpenGL/GridQChem.h

src/OpenGL/Images.c

src/OpenGL/Images.h

src/OpenGL/IntegralOrbitals.c

src/OpenGL/IntegralOrbitals.h

src/OpenGL/IsoSurface.c

src/OpenGL/IsoSurface.h

src/OpenGL/LabelsGL.c

src/OpenGL/LabelsGL.h

src/OpenGL/Makefile

src/OpenGL/MenuToolBarGL.c

src/OpenGL/Orbitals.c

src/OpenGL/Orbitals.h

src/OpenGL/OrbitalsDalton.c

src/OpenGL/OrbitalsDalton.h

src/OpenGL/OrbitalsGamess.c

src/OpenGL/OrbitalsGamess.h

src/OpenGL/OrbitalsMolpro.c

src/OpenGL/OrbitalsMolpro.h

src/OpenGL/OrbitalsMopac.c

src/OpenGL/OrbitalsMopac.h

src/OpenGL/OrbitalsOrca.c

src/OpenGL/OrbitalsOrca.h

src/OpenGL/OrbitalsQChem.c

src/OpenGL/OrbitalsQChem.h

src/OpenGL/PlanesMapped.c

src/OpenGL/PlanesMapped.h

src/OpenGL/PlanesMappedDraw.c

src/OpenGL/PlanesMappedDraw.h

src/OpenGL/PlanesMappedPov.c

src/OpenGL/PovrayGL.c

src/OpenGL/PreferencesOrb.c

src/OpenGL/PreferencesOrb.h

src/OpenGL/PrincipalAxisGL.c

src/OpenGL/RingsOrb.c

src/OpenGL/RingsOrb.h

src/OpenGL/RingsPov.c

src/OpenGL/Sphere.c

src/OpenGL/Sphere.h

src/OpenGL/StatusOrb.c

src/OpenGL/StatusOrb.h

src/OpenGL/SurfacesPov.c

src/OpenGL/Textures.c

src/OpenGL/Textures.h

src/OpenGL/TriangleDraw.c

src/OpenGL/TriangleDraw.h

src/OpenGL/UtilsOrb.c

src/OpenGL/UtilsOrb.h

src/OpenGL/Vibration.c

src/OpenGL/Vibration.h

src/OpenGL/VibrationDraw.c

src/OpenGL/VibrationDraw.h

src/OpenGL/ViewOrb.c

src/OpenGL/ViewOrb.h

src/Orca/Dep.mk

src/Orca/Makefile

src/Orca/Orca.c

src/Orca/Orca.h

src/Orca/OrcaBasis.c

src/Orca/OrcaGuess.c

src/Orca/OrcaKeywords.c

src/Orca/OrcaMolecule.c

src/PCGamess/Dep.mk

src/PCGamess/Makefile

src/PCGamess/PCGamess.c

src/PCGamess/PCGamess.h

src/PCGamess/PCGamessBasis.c

src/PCGamess/PCGamessBasis.h

src/PCGamess/PCGamessControl.c

src/PCGamess/PCGamessControl.h

src/PCGamess/PCGamessGlobal.h

src/PCGamess/PCGamessGuess.c

src/PCGamess/PCGamessGuess.h

src/PCGamess/PCGamessMolecule.c

src/PCGamess/PCGamessMolecule.h

src/PCGamess/PCGamessSCF.c

src/PCGamess/PCGamessSCF.h

src/PCGamess/PCGamessTypes.h

src/QChem/Dep.mk

src/QChem/Makefile

src/QChem/QChem.c

src/QChem/QChem.h

src/QChem/QChemBasis.c

src/QChem/QChemGuess.c

src/QChem/QChemLib.c

src/QChem/QChemLib.h

src/QChem/QChemMolecule.c

src/QChem/QChemRem.c

src/SemiEmpirical/AtomSE.c

src/SemiEmpirical/AtomSE.h

src/SemiEmpirical/Dep.mk

src/SemiEmpirical/Makefile

src/SemiEmpirical/MoleculeSE.c

src/SemiEmpirical/MoleculeSE.h

src/SemiEmpirical/SemiEmpirical.c

src/SemiEmpirical/SemiEmpirical.h

src/SemiEmpirical/SemiEmpiricalDlg.c

src/SemiEmpirical/SemiEmpiricalDlg.h

src/SemiEmpirical/SemiEmpiricalMD.c

src/SemiEmpirical/SemiEmpiricalMD.h

src/SemiEmpirical/SemiEmpiricalModel.c

src/SemiEmpirical/SemiEmpiricalModel.h

src/Spectrum/DOS.c

src/Spectrum/Dep.mk

src/Spectrum/ECDSpectrum.c

src/Spectrum/IRSpectrum.c

src/Spectrum/Makefile

src/Spectrum/NMRSpectrum.c

src/Spectrum/RamanSpectrum.c

src/Spectrum/SpectrumWin.c

src/Spectrum/SpectrumWin.h

src/Spectrum/UVSpectrum.c

src/Symmetry/Dep.mk

src/Symmetry/GenerateMolecule.c

src/Symmetry/GenerateMolecule.h

src/Symmetry/Makefile

src/Symmetry/MoleculeSymmetry.c

src/Symmetry/MoleculeSymmetry.h

src/Symmetry/MoleculeSymmetryInterface.c

src/Symmetry/MoleculeSymmetryInterface.h

src/Symmetry/PolyHedralOperators.c

src/Symmetry/PolyHedralOperators.h

src/Symmetry/PrincipalAxis.c

src/Symmetry/PrincipalAxis.h

src/Symmetry/ReduceMolecule.c

src/Symmetry/ReduceMolecule.h

src/Symmetry/ReducePolyHedralMolecule.c

src/Symmetry/ReducePolyHedralMolecule.h

src/Symmetry/SymmetryOperators.c

src/Symmetry/SymmetryOperators.h

src/Utils/AtomsProp.c

src/Utils/AtomsProp.h

src/Utils/ConvUtils.c

src/Utils/Dep.mk

src/Utils/GTF.c

src/Utils/GabeditTextEdit.c

src/Utils/GabeditTextEdit.h

src/Utils/GabeditXYPlot.c

src/Utils/GabeditXYPlot.h

src/Utils/GabeditXYPlotWin.c

src/Utils/GabeditXYPlotWin.h

src/Utils/HydrogenBond.c

src/Utils/Jacobi.c

src/Utils/Jacobi.h

src/Utils/Makefile

src/Utils/Matrix3D.c

src/Utils/Matrix3D.h

src/Utils/PovrayUtils.c

src/Utils/TTables.c

src/Utils/TTables.h

src/Utils/Transformation.c

src/Utils/Transformation.h

src/Utils/Utils.c

src/Utils/Utils.h

src/Utils/UtilsCairo.c

src/Utils/UtilsCairo.h

src/Utils/UtilsGL.c

src/Utils/UtilsGL.h

src/Utils/UtilsInterface.c

src/Utils/UtilsInterface.h

src/Utils/Vector3d.c

src/Utils/Vector3d.h

src/Utils/Zlm.c

src/VibrationalCorrections/Dep.mk

src/VibrationalCorrections/GabeditGaussianInput.c

src/VibrationalCorrections/GabeditGaussianInput.h

src/VibrationalCorrections/Makefile

utils/Others/xChangeDate

Older »