#
# ChangeLog for src/Parser/unittests/ParserPsi3UnitTest.cpp
#
# Generated by Trac 1.4.4
# Jan 4, 2025, 6:34:14 AM

Thu, 20 Oct 2011 22:42:16 GMT Frederik Heber <heber@…> [360c8b]
	* configure.ac (modified)
	* src/Actions/MoleculeAction/FillVoidWithMoleculeAction.cpp (modified)
	* src/Actions/MoleculeAction/FillWithMoleculeAction.cpp (modified)
	* src/Actions/MoleculeAction/LoadAction.cpp (modified)
	* src/Actions/ParserAction/ParseTremoloPotentialsAction.cpp (modified)
	* src/Actions/ParserAction/SetMpqcParametersAction.cpp (modified)
	* src/Actions/ParserAction/SetTremoloAtomdataAction.cpp (modified)
	* src/Parser/FormatParser.hpp (modified)
	* src/Parser/FormatParserInterface.hpp (added)
	* src/Parser/FormatParserStorage.cpp (modified)
	* src/Parser/FormatParserStorage.hpp (modified)
	* src/Parser/FormatParserTrait.hpp (added)
	* src/Parser/FormatParserTrait_specializations_header.hpp (added)
	* src/Parser/FormatParser_Parameters.cpp (added)
	* src/Parser/FormatParser_Parameters.hpp (modified)
	* src/Parser/FormatParser_common.cpp (moved)
	* src/Parser/FormatParser_common.hpp (added)
	* src/Parser/FormatParser_specializations_header.hpp (added)
	* src/Parser/Makefile.am (modified)
	* src/Parser/MpqcParser.cpp (modified)
	* src/Parser/MpqcParser.hpp (modified)
	* src/Parser/MpqcParser_Parameters.cpp (modified)
	* src/Parser/MpqcParser_Parameters.hpp (modified)
	* src/Parser/Parameters/ContinuousParameter.hpp (added)
	* src/Parser/Parameters/ContinuousParameter_impl.hpp (added)
	* src/Parser/Parameters/ContinuousValue.hpp (added)
	* src/Parser/Parameters/ContinuousValue_impl.hpp (added)
	* src/Parser/Parameters/DiscreteParameter.hpp (added)
	* src/Parser/Parameters/DiscreteParameter_impl.hpp (added)
	* src/Parser/Parameters/DiscreteValue.hpp (added)
	* src/Parser/Parameters/DiscreteValue_impl.hpp (added)
	* src/Parser/Parameters/Parameter.hpp (added)
	* src/Parser/Parameters/ParameterStorage.cpp (added)
	* src/Parser/Parameters/ParameterStorage.hpp (added)
	* src/Parser/Parameters/StringParameter.cpp (added)
	* src/Parser/Parameters/StringParameter.hpp (added)
	* src/Parser/Parameters/ValueInterface.hpp (added)
	* src/Parser/Parameters/unittests/ContinuousParameterUnitTest.cpp (added)
	* src/Parser/Parameters/unittests/ContinuousParameterUnitTest.hpp (added)
	* src/Parser/Parameters/unittests/ContinuousValueUnitTest.cpp (added)
	* src/Parser/Parameters/unittests/ContinuousValueUnitTest.hpp (added)
	* src/Parser/Parameters/unittests/DiscreteParameterUnitTest.cpp (added)
	* src/Parser/Parameters/unittests/DiscreteParameterUnitTest.hpp (added)
	* src/Parser/Parameters/unittests/DiscreteValueUnitTest.cpp (added)
	* src/Parser/Parameters/unittests/DiscreteValueUnitTest.hpp (added)
	* src/Parser/Parameters/unittests/Makefile.am (added)
	* src/Parser/Parameters/unittests/ParameterStorageUnitTest.cpp (added)
	* src/Parser/Parameters/unittests/ParameterStorageUnitTest.hpp (added)
	* src/Parser/Parameters/unittests/StringParameterUnitTest.cpp (added)
	* src/Parser/Parameters/unittests/StringParameterUnitTest.hpp (added)
	* src/Parser/ParserTypes.cpp (added)
	* src/Parser/ParserTypes.def (added)
	* src/Parser/ParserTypes.hpp (added)
	* src/Parser/ParserTypes.undef (added)
	* src/Parser/PcpParser.cpp (modified)
	* src/Parser/PcpParser.hpp (modified)
	* src/Parser/PdbAtomInfoContainer.hpp (modified)
	* src/Parser/PdbParser.cpp (modified)
	* src/Parser/PdbParser.hpp (modified)
	* src/Parser/Psi3Parser.cpp (added)
	* src/Parser/Psi3Parser.hpp (added)
	* src/Parser/Psi3Parser_Parameters.cpp (added)
	* src/Parser/Psi3Parser_Parameters.hpp (added)
	* src/Parser/TremoloParser.cpp (modified)
	* src/Parser/TremoloParser.hpp (modified)
	* src/Parser/XyzParser.cpp (modified)
	* src/Parser/XyzParser.hpp (modified)
	* src/Parser/unittests/Makefile.am (modified)
	* src/Parser/unittests/ParserMpqcUnitTest.cpp (modified)
	* src/Parser/unittests/ParserMpqcUnitTest.hpp (modified)
	* src/Parser/unittests/ParserPcpUnitTest.cpp (modified)
	* src/Parser/unittests/ParserPcpUnitTest.hpp (modified)
	* src/Parser/unittests/ParserPdbUnitTest.cpp (modified)
	* src/Parser/unittests/ParserPdbUnitTest.hpp (modified)
	* src/Parser/unittests/ParserPsi3UnitTest.cpp (added)
	* src/Parser/unittests/ParserPsi3UnitTest.hpp (added)
	* src/Parser/unittests/ParserTremoloUnitTest.cpp (modified)
	* src/Parser/unittests/ParserTremoloUnitTest.hpp (modified)
	* src/Parser/unittests/ParserXyzUnitTest.cpp (modified)
	* src/Parser/unittests/ParserXyzUnitTest.hpp (modified)
	* src/atom.cpp (modified)
	* src/atom.hpp (modified)
	* src/moleculelist.cpp (modified)
	* src/unittests/BoxUnitTest.cpp (modified)
	* src/unittests/FormulaUnitTest.cpp (modified)
	* tests/regression/Makefile.am (modified)
	* tests/regression/Parser/Psi3/post/empty.psi (added)
	* tests/regression/Parser/Psi3/post/test.psi (added)
	* tests/regression/Parser/Psi3/pre/empty.psi (added)
	* tests/regression/Parser/Psi3/pre/test.xyz (added)
	* tests/regression/Parser/Psi3/pre/testrhf.psi (added)
	* tests/regression/Parser/Psi3/pre/testrohf.psi (added)
	* tests/regression/Parser/Psi3/pre/testtwocon.psi (added)
	* tests/regression/Parser/Psi3/pre/testuhf.psi (added)
	* tests/regression/Parser/Psi3/testsuite-parser-psi3-empty.at (added)
	* tests/regression/Parser/Psi3/testsuite-parser-psi3-load.at (added)
	* tests/regression/Parser/Psi3/testsuite-parser-psi3-save.at (added)
	* tests/regression/Parser/testsuite-parser.at (modified)

	Merge branch 'Adding_Psi3Parser' into stable

	Conflicts:
	        ...


Tue, 18 Oct 2011 08:23:11 GMT Frederik Heber <heber@…> [d640ea]
	* src/Parser/Psi3Parser.cpp (modified)
	* src/Parser/unittests/ParserPsi3UnitTest.cpp (modified)

	Implemented Psi3Parser::save().

	- also we now have working unit ...


Mon, 17 Oct 2011 16:56:37 GMT Frederik Heber <heber@…> [a67cf0]
	* src/Parser/Psi3Parser_Parameters.cpp (modified)
	* src/Parser/Psi3Parser_Parameters.hpp (modified)
	* src/Parser/unittests/ParserPsi3UnitTest.cpp (modified)

	Renamed Psi3Parser_Parameters::multipParam to ::multiplicityParam.


Mon, 17 Oct 2011 16:56:37 GMT Frederik Heber <heber@…> [032f31]
	* src/Parser/Psi3Parser.cpp (modified)
	* src/Parser/unittests/ParserPsi3UnitTest.cpp (modified)

	Implemented Psi3Parser::load().

	- also we now have working unit ...


Mon, 17 Oct 2011 16:56:37 GMT Frederik Heber <heber@…> [f758dd]
	* src/Parser/unittests/ParserPsi3UnitTest.cpp (modified)

	ParserPsi3UnitTest::ParameterSetterTest() is working.


Mon, 17 Oct 2011 16:56:37 GMT Frederik Heber <heber@…> [154a45]
	* src/Parser/unittests/ParserPsi3UnitTest.cpp (modified)
	* src/Parser/unittests/ParserPsi3UnitTest.hpp (modified)

	ParserPsi3UnitTest::ParameterCloneTest() is working.


Mon, 17 Oct 2011 16:56:36 GMT Frederik Heber <heber@…> [1bef07]
	* src/Parser/FormatParserStorage.cpp (modified)
	* src/Parser/Makefile.am (modified)
	* src/Parser/ParserTypes.def (modified)
	* src/Parser/Psi3Parser.cpp (added)
	* src/Parser/Psi3Parser.hpp (added)
	* src/Parser/Psi3Parser_Parameters.cpp (added)
	* src/Parser/Psi3Parser_Parameters.hpp (added)
	* src/Parser/unittests/Makefile.am (modified)
	* src/Parser/unittests/ParserPsi3UnitTest.cpp (added)
	* src/Parser/unittests/ParserPsi3UnitTest.hpp (added)

	Added first working version of a Psi3Parser.

	- is so far mostly ...