#
# ChangeLog for tests/regression/Parser
#
# Generated by Trac 1.4.4
# Jan 6, 2025, 11:17:12 AM

Tue, 01 Mar 2011 10:16:37 GMT Frederik Heber <heber@…> [0180d6]
	* src/Parser/XyzParser.cpp (modified)
	* src/Parser/unittests/ParserXyzUnitTest.cpp (modified)
	* src/Parser/unittests/ParserXyzUnitTest.hpp (modified)
	* tests/regression/Parser/Xyz/post/testmulti.xyz (added)
	* tests/regression/Parser/Xyz/pre/testmulti.xyz (added)
	* tests/regression/Parser/Xyz/testsuite-parser-xyz.at (modified)

	Enhanced XyzParser to load and save multiple time steps.

	- Extended ...


Thu, 24 Feb 2011 20:22:51 GMT Frederik Heber <heber@…> [c6aeb1]
	* tests/regression/Parser/Pdb/post/test_conect.pdb (added)
	* tests/regression/Parser/Pdb/pre/test_conect.pdb (added)
	* tests/regression/Parser/Pdb/testsuite-parser-pdb.at (modified)

	Added regression test for Parser/Pdb for PDB files with CONECT
	entries.


Thu, 24 Feb 2011 19:55:15 GMT Frederik Heber <heber@…> [9dba5f]
	* src/Parser/PdbAtomInfoContainer.cpp (modified)
	* src/Parser/PdbAtomInfoContainer.hpp (modified)
	* src/Parser/PdbKey.hpp (modified)
	* src/Parser/PdbParser.cpp (modified)
	* src/Parser/PdbParser.hpp (modified)
	* tests/regression/Parser/Pdb/post/testmulti.pdb (added)
	* tests/regression/Parser/Pdb/post/testmulti2.pdb (added)
	* tests/regression/Parser/Pdb/pre/testmulti.pdb (added)
	* tests/regression/Parser/Pdb/pre/testmulti2.pdb (added)
	* tests/regression/Parser/Pdb/testsuite-parser-pdb.at (modified)

	PdbParser can now load and save multiple time steps.

	- WARNING: ...


Thu, 24 Feb 2011 19:48:13 GMT Frederik Heber <heber@…> [fcac72]
	* src/Parser/PcpParser.cpp (modified)
	* src/config.cpp (modified)
	* tests/regression/Parser/Pcp/post/testmulti.conf (added)
	* tests/regression/Parser/Pcp/pre/testmulti.conf (added)
	* tests/regression/Parser/Pcp/testsuite-parser-pcp.at (modified)

	Added multiple time steps to PcpParser::OutputAtoms().

	- removed ...


Mon, 07 Feb 2011 10:45:43 GMT Frederik Heber <heber@…> [4cbca0]
	* src/Parser/MpqcParser.cpp (modified)
	* tests/regression/Parser/Mpqc-SetParameters/post/testCLHF.in (added)
	* tests/regression/Parser/Mpqc-SetParameters/pre/testCLHF.in (added)
	* tests/regression/Parser/Mpqc-SetParameters/testsuite-parser-mpqc-set-parameters.at (modified)
	* tests/regression/Parser/Mpqc/post/testCLHF.in (added)
	* tests/regression/Parser/Mpqc/post/testCLKS.in (added)
	* tests/regression/Parser/Mpqc/post/testMBPT2.in (moved)
	* tests/regression/Parser/Mpqc/post/testMBPT2_R12.in (added)
	* tests/regression/Parser/Mpqc/pre/testCLHF.in (added)
	* tests/regression/Parser/Mpqc/pre/testCLKS.in (added)
	* tests/regression/Parser/Mpqc/pre/testMBPT2.in (added)
	* tests/regression/Parser/Mpqc/pre/testMBPT2_R12.in (added)
	* tests/regression/Parser/Mpqc/testsuite-parser-mpqc.at (modified)

	Implemented full MpqcParser::load().

	- regression tests for four ...


Mon, 07 Feb 2011 10:43:50 GMT Frederik Heber <heber@…> [963321a]
	* src/Actions/Makefile.am (modified)
	* src/Actions/ParserAction/SetGaussianBasisAction.cpp (deleted)
	* src/Actions/ParserAction/SetMpqcParametersAction.cpp (added)
	* src/Actions/ParserAction/SetMpqcParametersAction.def (moved)
	* src/Actions/ParserAction/SetMpqcParametersAction.hpp (moved)
	* src/Parser/MpqcParser.cpp (modified)
	* src/Parser/MpqcParser.hpp (modified)
	* src/Parser/MpqcParser_Parameters.cpp (modified)
	* tests/regression/Makefile.am (modified)
	* tests/regression/Parser/Mpqc-SetBasis/testsuite-parser-mpqc-set-basis.at (deleted)
	* tests/regression/Parser/Mpqc-SetParameters/pre/test.xyz (added)
	* tests/regression/Parser/Mpqc-SetParameters/testsuite-parser-mpqc-set-parameters.at (added)
	* tests/regression/Parser/testsuite-parser.at (modified)

	Converted SetGaussianBasisAction into SetMpqcParametersAction.

	- ...


Mon, 07 Feb 2011 10:43:35 GMT Frederik Heber <heber@…> [61d69a4]
	* src/Parser/Makefile.am (modified)
	* src/Parser/MpqcParser.cpp (modified)
	* src/Parser/MpqcParser.hpp (modified)
	* src/Parser/MpqcParser_Parameters.cpp (added)
	* src/Parser/MpqcParser_Parameters.hpp (added)
	* src/Parser/unittests/ParserMpqcUnitTest.cpp (modified)
	* src/Parser/unittests/ParserMpqcUnitTest.hpp (modified)
	* tests/regression/Atoms/Add/post/test.in (modified)
	* tests/regression/Atoms/Remove/post/test.in (modified)
	* tests/regression/Parser/Mpqc/post/test.in (modified)

	Added MpqcParser_Parameter class to MpqcParser.

	- contains all ...


Mon, 07 Feb 2011 10:27:18 GMT Frederik Heber <heber@…> [bb74ba]
	* src/Parser/MpqcParser.cpp (modified)
	* src/Parser/unittests/ParserMpqcUnitTest.cpp (modified)
	* tests/regression/Atoms/Add/post/test.in (modified)
	* tests/regression/Atoms/Remove/post/test.in (modified)
	* tests/regression/Parser/Mpqc/post/test.in (modified)
	* tests/regression/Parser/Mpqc/pre/test.in (modified)

	MpqcParser now writes correct MP2 configuration.

	- while the ...


Mon, 07 Feb 2011 10:15:38 GMT Frederik Heber <heber@…> [f2230e]
	* tests/regression/Makefile.am (modified)
	* tests/regression/Parser/Mpqc-SetBasis/testsuite-parser-mpqc-set-basis.at (moved)
	* tests/regression/Parser/Mpqc/post/test.in (moved)
	* tests/regression/Parser/Mpqc/pre/test.in (added)
	* tests/regression/Parser/Mpqc/pre/test.xyz (moved)
	* tests/regression/Parser/Mpqc/testsuite-parser-mpqc.at (added)
	* tests/regression/Parser/Pcp/post/test.conf (moved)
	* tests/regression/Parser/Pcp/pre/test.conf (moved)
	* tests/regression/Parser/Pcp/testsuite-parser-pcp.at (added)
	* tests/regression/Parser/Pdb/post/test.pdb (moved)
	* tests/regression/Parser/Pdb/pre/test.pdb (moved)
	* tests/regression/Parser/Pdb/testsuite-parser-pdb.at (added)
	* tests/regression/Parser/Tremolo/post/argon.data (added)
	* tests/regression/Parser/Tremolo/post/test.data (added)
	* tests/regression/Parser/Tremolo/pre/argon.data (added)
	* tests/regression/Parser/Tremolo/pre/test.data (added)
	* tests/regression/Parser/Tremolo/pre/test.xyz (moved)
	* tests/regression/Parser/Tremolo/testsuite-parser-tremolo.at (added)
	* tests/regression/Parser/Xyz/post/test.xyz (added)
	* tests/regression/Parser/Xyz/pre/test.xyz (added)
	* tests/regression/Parser/Xyz/testsuite-parser-xyz.at (added)
	* tests/regression/Parser/testsuite-parser.at (added)
	* tests/regression/testsuite-simple_configuration.at (modified)
	* tests/regression/testsuite.at (modified)

	Changed regression testsuite structure of Parser.

	- specifics ...