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修订版	1586 (tree)
时间	2013-12-20 19:06:28
作者	mikiya_fujii

Log Message

Tagging the 0.3.0 of 'MolDS' project. #32641

更改概述

added: tags/0.3.0/doc/README.txt
added: tags/0.3.0/doc/release_notes.txt
added: tags/0.3.0/doc/refferences.txt
added: tags/0.3.0/doc/Doxyfile
added: tags/0.3.0/doc
added: tags/0.3.0/src/Makefile_GNU
added: tags/0.3.0/src/Main.cpp
added: tags/0.3.0/src/Makefile
added: tags/0.3.0/src/base/atoms/Satom.cpp
added: tags/0.3.0/src/base/atoms/Atom.h
added: tags/0.3.0/src/base/atoms/mm/EnvironmentalPointCharge.cpp
added: tags/0.3.0/src/base/atoms/mm/EnvironmentalPointCharge.h
added: tags/0.3.0/src/base/atoms/mm
added: tags/0.3.0/src/base/atoms/Natom.cpp
added: tags/0.3.0/src/base/atoms/Oatom.cpp
added: tags/0.3.0/src/base/atoms/Atom.cpp
added: tags/0.3.0/src/base/atoms/Catom.cpp
added: tags/0.3.0/src/base/atoms/Liatom.cpp
added: tags/0.3.0/src/base/atoms/Hatom.cpp
added: tags/0.3.0/src/base/atoms/Natom.h
added: tags/0.3.0/src/base/atoms/Oatom.h
added: tags/0.3.0/src/base/atoms/Catom.h
added: tags/0.3.0/src/base/atoms/Satom.h
added: tags/0.3.0/src/base/atoms/Liatom.h
added: tags/0.3.0/src/base/atoms/Hatom.h
added: tags/0.3.0/src/base/atoms
added: tags/0.3.0/src/base/MolDSException.cpp
added: tags/0.3.0/src/base/GTOExpansionSTO.cpp
added: tags/0.3.0/src/base/Parameters.cpp
added: tags/0.3.0/src/base/InputParser.h
added: tags/0.3.0/src/base/InputParser.cpp
added: tags/0.3.0/src/base/Molecule.cpp
added: tags/0.3.0/src/base/factories/AtomFactory.cpp
added: tags/0.3.0/src/base/factories/AtomFactory.h
added: tags/0.3.0/src/base/factories/ElectronicStructureFactory.cpp
added: tags/0.3.0/src/base/factories/OptimizerFactory.cpp
added: tags/0.3.0/src/base/factories/OptimizerFactory.h
added: tags/0.3.0/src/base/factories/ElectronicStructureFactory.h
added: tags/0.3.0/src/base/factories
added: tags/0.3.0/src/base/Molecule.h
added: tags/0.3.0/src/base/MallocerFreer.h
added: tags/0.3.0/src/base/Enums.h
added: tags/0.3.0/src/base/loggers/DensityLogger.cpp
added: tags/0.3.0/src/base/loggers/MOLogger.cpp
added: tags/0.3.0/src/base/loggers/ParticleDensityLogger.cpp
added: tags/0.3.0/src/base/loggers/HoleDensityLogger.cpp
added: tags/0.3.0/src/base/loggers/ParticleDensityLogger.h
added: tags/0.3.0/src/base/loggers/HoleDensityLogger.h
added: tags/0.3.0/src/base/loggers/DensityLogger.h
added: tags/0.3.0/src/base/loggers/MOLogger.h
added: tags/0.3.0/src/base/loggers
added: tags/0.3.0/src/base/Utilities.cpp
added: tags/0.3.0/src/base/MolDS.cpp
added: tags/0.3.0/src/base/PrintController.cpp
added: tags/0.3.0/src/base/MallocerFreer.cpp
added: tags/0.3.0/src/base/MathUtilities.cpp
added: tags/0.3.0/src/base/MathUtilities.h
added: tags/0.3.0/src/base/containers/ThreadSafeQueue.h
added: tags/0.3.0/src/base/containers/ThreadSafeQueue.cpp
added: tags/0.3.0/src/base/containers
added: tags/0.3.0/src/base/PrintController.h
added: tags/0.3.0/src/base/Parameters.h
added: tags/0.3.0/src/base/ElectronicStructure.h
added: tags/0.3.0/src/base/MolDSException.h
added: tags/0.3.0/src/base/RealSphericalHarmonicsIndex.cpp
added: tags/0.3.0/src/base/EularAngle.cpp
added: tags/0.3.0/src/base/RealSphericalHarmonicsIndex.h
added: tags/0.3.0/src/base/MolDS.h
added: tags/0.3.0/src/base/EularAngle.h
added: tags/0.3.0/src/base/Utilities.h
added: tags/0.3.0/src/base/Uncopyable.h
added: tags/0.3.0/src/base/GTOExpansionSTO.h
added: tags/0.3.0/src/base/Enums.cpp
added: tags/0.3.0/src/base
added: tags/0.3.0/src/cndo/Cndo2.cpp
added: tags/0.3.0/src/cndo/Cndo2.h
added: tags/0.3.0/src/cndo/ReducedOverlapAOsParameters.h
added: tags/0.3.0/src/cndo
added: tags/0.3.0/src/mndo/Mndo.h
added: tags/0.3.0/src/mndo/Mndo.cpp
added: tags/0.3.0/src/mndo
added: tags/0.3.0/src/zindo/ZindoS.cpp
added: tags/0.3.0/src/zindo/ZindoS.h
added: tags/0.3.0/src/zindo
added: tags/0.3.0/src/pm3/Pm3Pddg.cpp
added: tags/0.3.0/src/pm3/Pm3.cpp
added: tags/0.3.0/src/pm3/Pm3D.cpp
added: tags/0.3.0/src/pm3/Pm3Pddg.h
added: tags/0.3.0/src/pm3/Pm3.h
added: tags/0.3.0/src/pm3/Pm3D.h
added: tags/0.3.0/src/pm3
added: tags/0.3.0/src/am1/Am1.cpp
added: tags/0.3.0/src/am1/Am1D.cpp
added: tags/0.3.0/src/am1/Am1.h
added: tags/0.3.0/src/am1/Am1D.h
added: tags/0.3.0/src/am1
added: tags/0.3.0/src/indo/Indo.h
added: tags/0.3.0/src/indo/Indo.cpp
added: tags/0.3.0/src/indo
added: tags/0.3.0/src/config.h
added: tags/0.3.0/src/optimization/BFGS.cpp
added: tags/0.3.0/src/optimization/Optimizer.cpp
added: tags/0.3.0/src/optimization/GEDIIS.cpp
added: tags/0.3.0/src/optimization/SteepestDescent.cpp
added: tags/0.3.0/src/optimization/ConjugateGradient.cpp
added: tags/0.3.0/src/optimization/GEDIIS.h
added: tags/0.3.0/src/optimization/BFGS.h
added: tags/0.3.0/src/optimization/ConjugateGradient.h
added: tags/0.3.0/src/optimization/Optimizer.h
added: tags/0.3.0/src/optimization/SteepestDescent.h
added: tags/0.3.0/src/optimization
added: tags/0.3.0/src/md/MD.cpp
added: tags/0.3.0/src/md/MD.h
added: tags/0.3.0/src/md
added: tags/0.3.0/src/wrappers/Blas.cpp
added: tags/0.3.0/src/wrappers/Lapack.cpp
added: tags/0.3.0/src/wrappers/Blas.h
added: tags/0.3.0/src/wrappers/Lapack.h
added: tags/0.3.0/src/wrappers
added: tags/0.3.0/src/mpi/MpiProcess.h
added: tags/0.3.0/src/mpi/AsyncCommunicator.cpp
added: tags/0.3.0/src/mpi/AsyncCommunicator.h
added: tags/0.3.0/src/mpi/MpiProcess.cpp
added: tags/0.3.0/src/mpi/MpiInt.h
added: tags/0.3.0/src/mpi
added: tags/0.3.0/src/mc/MC.cpp
added: tags/0.3.0/src/mc/MC.h
added: tags/0.3.0/src/mc
added: tags/0.3.0/src/rpmd/RPMD.cpp
added: tags/0.3.0/src/rpmd/RPMD.h
added: tags/0.3.0/src/rpmd
added: tags/0.3.0/src/nasco/NASCO.cpp
added: tags/0.3.0/src/nasco/NASCO.h
added: tags/0.3.0/src/nasco
added: tags/0.3.0/src/tools/paramYZ/paramYZ.cpp
added: tags/0.3.0/src/tools/paramYZ/README.txt
added: tags/0.3.0/src/tools/paramYZ/paramYZ.dat
added: tags/0.3.0/src/tools/paramYZ
added: tags/0.3.0/src/tools/deriveParametersNDDO/deriveParametersNDDO.cpp
added: tags/0.3.0/src/tools/deriveParametersNDDO/README.txt
added: tags/0.3.0/src/tools/deriveParametersNDDO/data/MNDO_Satom.dat
added: tags/0.3.0/src/tools/deriveParametersNDDO/data/AM1_Satom.dat
added: tags/0.3.0/src/tools/deriveParametersNDDO/data/PM3_Satom.dat
added: tags/0.3.0/src/tools/deriveParametersNDDO/data/PM3_Natom.dat
added: tags/0.3.0/src/tools/deriveParametersNDDO/data/PM3_Oatom.dat
added: tags/0.3.0/src/tools/deriveParametersNDDO/data/PM3_Catom.dat
added: tags/0.3.0/src/tools/deriveParametersNDDO/data/PM3_Hatom.dat
added: tags/0.3.0/src/tools/deriveParametersNDDO/data/AM1_Natom.dat
added: tags/0.3.0/src/tools/deriveParametersNDDO/data/AM1_Oatom.dat
added: tags/0.3.0/src/tools/deriveParametersNDDO/data/AM1_Catom.dat
added: tags/0.3.0/src/tools/deriveParametersNDDO/data/AM1_Hatom.dat
added: tags/0.3.0/src/tools/deriveParametersNDDO/data/MNDO_Hatom.dat
added: tags/0.3.0/src/tools/deriveParametersNDDO/data/MNDO_Natom.dat
added: tags/0.3.0/src/tools/deriveParametersNDDO/data/MNDO_Oatom.dat
added: tags/0.3.0/src/tools/deriveParametersNDDO/data/MNDO_Catom.dat
added: tags/0.3.0/src/tools/deriveParametersNDDO/data
added: tags/0.3.0/src/tools/deriveParametersNDDO
added: tags/0.3.0/src/tools
added: tags/0.3.0/src/third_parties/rEnumStr/rEnumStr.h
added: tags/0.3.0/src/third_parties/rEnumStr
added: tags/0.3.0/src/third_parties
added: tags/0.3.0/src/license/COPYING.txt
added: tags/0.3.0/src/license
added: tags/0.3.0/src/obj
added: tags/0.3.0/src
added: tags/0.3.0/test/Test_Of_MolDS.rb
added: tags/0.3.0/test/c4h4s_zindos_directCIS_singlet.in
added: tags/0.3.0/test/c4h4s_zindos_directCIS_singlet.dat
added: tags/0.3.0/test/ch4_zindos_directCIS_singlet.dat
added: tags/0.3.0/test/c2h6_zindos_davidsonCIS_singlet.dat
added: tags/0.3.0/test/c2h6_zindos_directCIS_singlet_force.dat
added: tags/0.3.0/test/h2s_zindos_davidsonCIS_singlet.dat
added: tags/0.3.0/test/h2s_zindos_directCIS_singlet.dat
added: tags/0.3.0/test/ch4_zindos_davidsonCIS_singlet.dat
added: tags/0.3.0/test/c2h6_zindos_directCIS_singlet.dat
added: tags/0.3.0/test/h2o_zindos_directCIS_singlet.dat
added: tags/0.3.0/test/c2h6_zindos_force.dat
added: tags/0.3.0/test/c2h6_mndo_directCIS_singlet_force_heap_limit.dat
added: tags/0.3.0/test/c2h6_pm3pddg_opt_gediis.dat
added: tags/0.3.0/test/c2h6_pm3pddg_opt_gediis.in
added: tags/0.3.0/test/c2h6_zindos_directCIS_singlet_force.in
added: tags/0.3.0/test/FNC2_TNC2.in
added: tags/0.3.0/test/c2h6_pm3_directCIS_singlet.dat
added: tags/0.3.0/test/c2h6_pm3pddg_davidsonCIS_singlet_force.dat
added: tags/0.3.0/test/c2h6_pm3pddg_opt_steepest.dat
added: tags/0.3.0/test/h2s_cndo2.dat
added: tags/0.3.0/test/c2h6_cndo2.dat
added: tags/0.3.0/test/c2h6_am1_davidsonCIS_singlet_force.dat
added: tags/0.3.0/test/c2h6_pm3_vdw.dat
added: tags/0.3.0/test/ch4_mndo_davidsonCIS_singlet.dat
added: tags/0.3.0/test/c2h6_pm3_directCIS_singlet_force.dat
added: tags/0.3.0/test/c2h6_pm3pddg_davidsonCIS_singlet_rpmd.dat
added: tags/0.3.0/test/ch4_am1_directCIS_singlet.dat
added: tags/0.3.0/test/c2h6_mndo_force.dat
added: tags/0.3.0/test/c2h6_pm3pddg_directCIS_singlet.dat
added: tags/0.3.0/test/c2h6_mndo_davidsonCIS_singlet_force.dat
added: tags/0.3.0/test/c2h6_mndo_directCIS_singlet_force.dat
added: tags/0.3.0/test/c2h6_am1_directCIS_singlet.dat
added: tags/0.3.0/test/ch4_mndo.dat
added: tags/0.3.0/test/c2h6_pm3_MC.dat
added: tags/0.3.0/test/c2h6_indo.dat
added: tags/0.3.0/test/ch4_am1.dat
added: tags/0.3.0/test/c2h6_pm3pddg.dat
added: tags/0.3.0/test/c2h6_pm3d.dat
added: tags/0.3.0/test/c2h6_mndo_directCIS_singlet.dat
added: tags/0.3.0/test/c2h6_pm3pddg_force.dat
added: tags/0.3.0/test/c2h6_am1.dat
added: tags/0.3.0/test/c2h6-h2o-cluster_pm3pddg_freq.dat
added: tags/0.3.0/test/FNC1_translate.dat
added: tags/0.3.0/test/ch4_pm3_davidsonCIS_singlet.dat
added: tags/0.3.0/test/c2h6_am1_force.dat
added: tags/0.3.0/test/c2h6_pm3_davidsonCIS_singlet.dat
added: tags/0.3.0/test/c2h6_pm3_force.dat
added: tags/0.3.0/test/c2h6_pm3_davidsonCIS_singlet_force.dat
added: tags/0.3.0/test/c2h6_pm3_directCIS_singlet_MC.dat
added: tags/0.3.0/test/c2h6_pm3_vdw_MC.dat
added: tags/0.3.0/test/ch4_am1_davidsonCIS_singlet.dat
added: tags/0.3.0/test/FNC1_principal.dat
added: tags/0.3.0/test/c2h6_mndo_davidsonCIS_singlet.dat
added: tags/0.3.0/test/c2h6_pm3pddg_davidsonCIS_singlet.dat
added: tags/0.3.0/test/ch4_pm3.dat
added: tags/0.3.0/test/FNC1_rot120.dat
added: tags/0.3.0/test/c2h6_am1_davidsonCIS_singlet.dat
added: tags/0.3.0/test/ch4_pm3_directCIS_singlet.dat
added: tags/0.3.0/test/c2h6_pm3pddg_directCIS_singlet_force.dat
added: tags/0.3.0/test/c2h6_pm3.dat
added: tags/0.3.0/test/ch4_indo.dat
added: tags/0.3.0/test/c2h6_am1_directCIS_singlet_force.dat
added: tags/0.3.0/test/ch4_mndo_directCIS_singlet.dat
added: tags/0.3.0/test/c2h6_mndo.dat
added: tags/0.3.0/test/c2h6_pm3_vdw_force.dat
added: tags/0.3.0/test/c2h6_pm3pddg_opt_conjugate.dat
added: tags/0.3.0/test/c2h6_pm3pddg_rpmd.dat
added: tags/0.3.0/test/ch4_cndo2.dat
added: tags/0.3.0/test/c2h6_pm3pddg_opt_bfgs.dat
added: tags/0.3.0/test/c2h6-nh3-cluster_pm3d_freq.dat
added: tags/0.3.0/test/c2h6_pm3_directCIS_singlet.in
added: tags/0.3.0/test/c2h6-nh3-cluster_pm3d_freq.in
added: tags/0.3.0/test/c2h6-h2o-cluster_pm3pddg_freq.in
added: tags/0.3.0/test/c2h6_pm3pddg_opt_bfgs.in
added: tags/0.3.0/test/ch4_zindos_directCIS_singlet.in
added: tags/0.3.0/test/ch4_am1_davidsonCIS_singlet.in
added: tags/0.3.0/test/ch4_mndo_davidsonCIS_singlet.in
added: tags/0.3.0/test/ch4_pm3_directCIS_singlet.in
added: tags/0.3.0/test/ch4_am1.in
added: tags/0.3.0/test/ch4_indo.in
added: tags/0.3.0/test/ch4_am1_directCIS_singlet.in
added: tags/0.3.0/test/ch4_mndo.in
added: tags/0.3.0/test/ch4_pm3_davidsonCIS_singlet.in
added: tags/0.3.0/test/ch4_pm3.in
added: tags/0.3.0/test/ch4_cndo2.in
added: tags/0.3.0/test/ch4_zindos_davidsonCIS_singlet.in
added: tags/0.3.0/test/ch4_mndo_directCIS_singlet.in
added: tags/0.3.0/test/c2h6_am1d.in
added: tags/0.3.0/test/c2h6_am1d.dat
added: tags/0.3.0/test/c2h6_pm3d.in
added: tags/0.3.0/test/c2h6_zindos_directCIS_singlet.in
added: tags/0.3.0/test/c2h6_zindos_davidsonCIS_singlet.in
added: tags/0.3.0/test/c2h6_pm3_vdw.in
added: tags/0.3.0/test/c2h6_pm3_vdw_force.in
added: tags/0.3.0/test/c2h6_pm3_vdw_MC.in
added: tags/0.3.0/test/c2h6_pm3pddg_opt_conjugate.in
added: tags/0.3.0/test/c2h6_pm3pddg_opt_steepest.in
added: tags/0.3.0/test/c2h6_pm3pddg_davidsonCIS_singlet_rpmd.in
added: tags/0.3.0/test/c2h6_pm3pddg_rpmd.in
added: tags/0.3.0/test/c2h6_pm3_MC.in
added: tags/0.3.0/test/c2h6_pm3_directCIS_singlet_MC.in
added: tags/0.3.0/test/FNC1_rot120.in
added: tags/0.3.0/test/FNC1_translate.in
added: tags/0.3.0/test/FNC1_principal.in
added: tags/0.3.0/test/c2h6_mndo_directCIS_singlet_force_heap_limit.in
added: tags/0.3.0/test/FNC3_PNC2-2.in
added: tags/0.3.0/test/FNC4_PNC2-2.in
added: tags/0.3.0/test/c2h6_pm3pddg_directCIS_singlet_force.in
added: tags/0.3.0/test/c2h6_pm3pddg_davidsonCIS_singlet.in
added: tags/0.3.0/test/c2h6_pm3pddg_davidsonCIS_singlet_force.in
added: tags/0.3.0/test/c2h6_pm3pddg.in
added: tags/0.3.0/test/c2h6_pm3pddg_directCIS_singlet.in
added: tags/0.3.0/test/c2h6_pm3pddg_force.in
added: tags/0.3.0/test/c2h6_am1_directCIS_singlet_force.in
added: tags/0.3.0/test/c2h6_pm3_davidsonCIS_singlet_force.in
added: tags/0.3.0/test/c2h6_mndo_directCIS_singlet_force.in
added: tags/0.3.0/test/c2h6_am1_davidsonCIS_singlet_force.in
added: tags/0.3.0/test/c2h6_pm3_directCIS_singlet_force.in
added: tags/0.3.0/test/c2h6_mndo_davidsonCIS_singlet_force.in
added: tags/0.3.0/test/c2h6_am1_force.in
added: tags/0.3.0/test/c2h6_mndo_force.in
added: tags/0.3.0/test/c2h6_pm3_force.in
added: tags/0.3.0/test/c2h6_am1_davidsonCIS_singlet.in
added: tags/0.3.0/test/c2h6_mndo_davidsonCIS_singlet.in
added: tags/0.3.0/test/c2h6_pm3_davidsonCIS_singlet.in
added: tags/0.3.0/test/c2h6_zindos_force.in
added: tags/0.3.0/test/h2s_zindos_davidsonCIS_singlet.in
added: tags/0.3.0/test/c2h6_indo.in
added: tags/0.3.0/test/h2o_zindos_directCIS_singlet.in
added: tags/0.3.0/test/h2s_zindos_directCIS_singlet.in
added: tags/0.3.0/test/h2s_cndo2.in
added: tags/0.3.0/test/c2h6_cndo2.in
added: tags/0.3.0/test/c2h6_am1_directCIS_singlet.in
added: tags/0.3.0/test/c2h6_mndo.in
added: tags/0.3.0/test/c2h6_mndo_directCIS_singlet.in
added: tags/0.3.0/test/c2h6_pm3.in
added: tags/0.3.0/test/c2h6_am1.in
added: tags/0.3.0/test
added: tags/0.3.0

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