Commit: 8be3882b5c1652763b95da90002f9cb03981dd8b - MolDS (git)

Commit MetaInfo

• Revision: 8be3882b5c1652763b95da90002f9cb03981dd8b (tree)
• Zeit: 2013-07-16 16:52:56
• Autor: Katsuhiko Nishimra <ktns.87@gmai...>
• Commiter: Katsuhiko Nishimra

Log Message

Merge source files of trunk into branch automake. #28588

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/branches/automake@1397 1136aad2-a195-0410-b898-f5ea1d11b9d8

Ändern Zusammenfassung

• add: doc/Doxyfile
• modified: doc/README.txt
• modified: src/Main.cpp
• modified: src/am1/Am1.cpp
• modified: src/am1/Am1.h
• modified: src/am1/Am1D.cpp
• modified: src/am1/Am1D.h
• modified: src/base/Enums.h
• modified: src/base/EularAngle.cpp
• modified: src/base/EularAngle.h
• modified: src/base/InputParser.cpp
• modified: src/base/InputParser.h
• modified: src/base/MallocerFreer.cpp
• modified: src/base/MallocerFreer.h
• modified: src/base/MathUtilities.cpp
• modified: src/base/MolDS.cpp
• modified: src/base/MolDS.h
• modified: src/base/MolDSException.cpp
• modified: src/base/MolDSException.h
• modified: src/base/Molecule.cpp
• modified: src/base/Molecule.h
• modified: src/base/Parameters.cpp
• modified: src/base/Parameters.h
• modified: src/base/PrintController.h
• modified: src/base/RealSphericalHarmonicsIndex.cpp
• modified: src/base/RealSphericalHarmonicsIndex.h
• modified: src/base/Utilities.cpp
• modified: src/base/atoms/Atom.cpp
• modified: src/base/atoms/Atom.h
• modified: src/base/atoms/Catom.cpp
• modified: src/base/atoms/Catom.h
• modified: src/base/atoms/Hatom.cpp
• modified: src/base/atoms/Hatom.h
• modified: src/base/atoms/Liatom.cpp
• modified: src/base/atoms/Liatom.h
• modified: src/base/atoms/Natom.cpp
• modified: src/base/atoms/Natom.h
• modified: src/base/atoms/Oatom.cpp
• modified: src/base/atoms/Oatom.h
• modified: src/base/atoms/Satom.cpp
• modified: src/base/atoms/Satom.h
• modified: src/base/factories/AtomFactory.cpp
• modified: src/base/factories/AtomFactory.h
• modified: src/base/factories/ElectronicStructureFactory.cpp
• modified: src/base/factories/OptimizerFactory.cpp
• modified: src/base/loggers/DensityLogger.cpp
• modified: src/base/loggers/HoleDensityLogger.cpp
• modified: src/base/loggers/MOLogger.cpp
• modified: src/base/loggers/ParticleDensityLogger.cpp
• modified: src/cndo/Cndo2.cpp
• modified: src/cndo/Cndo2.h
• modified: src/indo/Indo.cpp
• modified: src/indo/Indo.h
• modified: src/mc/MC.cpp
• modified: src/md/MD.cpp
• modified: src/md/MD.h
• modified: src/mndo/Mndo.cpp
• modified: src/mndo/Mndo.h
• add: src/mpi/MpiProcess.cpp
• add: src/mpi/MpiProcess.h
• modified: src/nasco/NASCO.cpp
• modified: src/optimization/BFGS.cpp
• modified: src/optimization/ConjugateGradient.cpp
• modified: src/optimization/Optimizer.cpp
• modified: src/optimization/SteepestDescent.cpp
• modified: src/pm3/Pm3.cpp
• modified: src/pm3/Pm3.h
• modified: src/pm3/Pm3D.cpp
• modified: src/pm3/Pm3D.h
• modified: src/pm3/Pm3Pddg.cpp
• modified: src/pm3/Pm3Pddg.h
• modified: src/rpmd/RPMD.cpp
• modified: src/third_parties/rEnumStr/rEnumStr.h
• modified: src/wrappers/Blas.cpp
• modified: src/wrappers/Blas.h
• modified: src/wrappers/Lapack.cpp
• modified: src/zindo/ZindoS.cpp
• modified: src/zindo/ZindoS.h
• modified: test/FNC2_TNC2.in
• modified: test/Test_Of_MolDS.rb
• modified: test/c2h6_mndo_directCIS_singlet_force_heap_limit.dat
• add: test/c2h6_zindos_directCIS_singlet_force.dat
• add: test/c2h6_zindos_directCIS_singlet_force.in