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# ChangeLog for tests/regression/Parser/SetParameters/Mpqc/post
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# Generated by Trac 1.6
# May 31, 2025, 1:55:18 PM

Wed, 14 Sep 2016 18:43:53 GMT Frederik Heber <heber@…> [3fb9ab]
	* 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/doublewater.in (modified)
	* tests/regression/Parser/Mpqc/post/empty.in (modified)
	* tests/regression/Parser/Mpqc/post/test.in (modified)
	* tests/regression/Parser/Mpqc/post/testCLHF.in (modified)
	* tests/regression/Parser/Mpqc/post/testCLKS.in (modified)
	* tests/regression/Parser/Mpqc/post/testMBPT2.in (modified)
	* tests/regression/Parser/Mpqc/post/testMBPT2_R12.in (modified)
	* tests/regression/Parser/Mpqc/pre/testCLHF.in (modified)
	* tests/regression/Parser/Mpqc/pre/testCLHF_n.in (modified)
	* tests/regression/Parser/Mpqc/pre/testCLHF_n_ascend_ids.in (modified)
	* tests/regression/Parser/Mpqc/pre/testCLHF_n_mixed_ids.in (modified)
	* tests/regression/Parser/Mpqc/pre/testCLKS.in (modified)
	* tests/regression/Parser/Mpqc/pre/testMBPT2.in (modified)
	* tests/regression/Parser/Mpqc/pre/testMBPT2_R12.in (modified)
	* tests/regression/Parser/Mpqc/pre/water.in (modified)
	* tests/regression/Parser/SetParameters/Mpqc/post/testCLHF.in (modified)
	* tests/regression/Parser/SetParameters/Mpqc/pre/testCLHF.in (modified)

	FIX: Preventing MPQC from using old temp files for restart.

	- ...


Sun, 11 Oct 2015 07:11:38 GMT Frederik Heber <heber@…> [e3c4c5]
	* src/Parser/MpqcParser.cpp (modified)
	* src/Parser/MpqcParser_Parameters.cpp (modified)
	* src/Parser/MpqcParser_Parameters.hpp (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/doublewater.in (modified)
	* tests/regression/Parser/Mpqc/post/empty.in (modified)
	* tests/regression/Parser/Mpqc/post/test.in (modified)
	* tests/regression/Parser/Mpqc/post/testCLHF.in (modified)
	* tests/regression/Parser/Mpqc/post/testCLKS.in (modified)
	* tests/regression/Parser/Mpqc/post/testMBPT2.in (modified)
	* tests/regression/Parser/Mpqc/post/testMBPT2_R12.in (modified)
	* tests/regression/Parser/Mpqc/pre/testCLHF.in (modified)
	* tests/regression/Parser/Mpqc/pre/testCLHF_n.in (modified)
	* tests/regression/Parser/Mpqc/pre/testCLHF_n_ascend_ids.in (modified)
	* tests/regression/Parser/Mpqc/pre/testCLHF_n_mixed_ids.in (modified)
	* tests/regression/Parser/Mpqc/pre/testCLKS.in (modified)
	* tests/regression/Parser/Mpqc/pre/testMBPT2.in (modified)
	* tests/regression/Parser/Mpqc/pre/testMBPT2_R12.in (modified)
	* tests/regression/Parser/Mpqc/pre/water.in (modified)
	* tests/regression/Parser/SetParameters/Mpqc/post/testCLHF.in (modified)
	* tests/regression/Parser/SetParameters/Mpqc/pre/testCLHF.in (modified)

	MpqcParser additionally allows to save optimization jobs.

	- this is ...


Mon, 31 Oct 2011 11:16:17 GMT Frederik Heber <heber@…> [41d023]
	* src/Actions/Makefile.am (modified)
	* src/Actions/ParserAction/SetMpqcParametersAction.cpp (deleted)
	* src/Actions/ParserAction/SetParserParametersAction.cpp (added)
	* src/Actions/ParserAction/SetParserParametersAction.def (moved)
	* src/Actions/ParserAction/SetParserParametersAction.hpp (moved)
	* src/Parser/FormatParser_Parameters.cpp (modified)
	* tests/regression/Makefile.am (modified)
	* tests/regression/Parser/SetParameters/Mpqc/post/testCLHF.in (moved)
	* tests/regression/Parser/SetParameters/Mpqc/pre/test.xyz (moved)
	* tests/regression/Parser/SetParameters/Mpqc/pre/testCLHF.in (moved)
	* tests/regression/Parser/SetParameters/Mpqc/testsuite-parser-set-parameters-mpqc-basis.at (moved)
	* tests/regression/Parser/SetParameters/Mpqc/testsuite-parser-set-parameters-mpqc-maxiterations.at (moved)
	* tests/regression/Parser/SetParameters/Mpqc/testsuite-parser-set-parameters-mpqc-theory.at (moved)
	* tests/regression/Parser/SetParameters/Mpqc/testsuite-parser-set-parameters-mpqc.at (moved)
	* tests/regression/Parser/SetParameters/Psi3/pre/test.xyz (added)
	* tests/regression/Parser/SetParameters/Psi3/testsuite-parser-set-parameters-psi3-wavefunction.at (added)
	* tests/regression/Parser/testsuite-parser.at (modified)

	Renamed SetMpqcParametersAction to SetParserParametersAction and ...