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# ChangeLog for tests/regression/Parser/Mpqc/pre/testMBPT2.in
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# Generated by Trac 1.4.4
# Mar 18, 2025, 1:21:19 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, 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 ...