#
# ChangeLog for tests/regression/Atoms/Remove/post/test.in
#
# Generated by Trac 1.4.4
# Jan 20, 2025, 3:52:39 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 10:43:35 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 10:25:38 GMT Frederik Heber <heber@…> [d445e4]
	* tests/regression/Atoms/Add/post/empty.conf (moved)
	* tests/regression/Atoms/Add/post/test.conf (moved)
	* tests/regression/Atoms/Add/post/test.data (added)
	* tests/regression/Atoms/Add/post/test.in (moved)
	* tests/regression/Atoms/Add/post/test.pdb (added)
	* tests/regression/Atoms/Add/post/test.xyz (moved)
	* tests/regression/Atoms/Add/testsuite-atoms-add.at (added)
	* tests/regression/Atoms/ChangeElement/post/test.xyz (moved)
	* tests/regression/Atoms/ChangeElement/pre/test.xyz (moved)
	* tests/regression/Atoms/ChangeElement/testsuite-atoms-change-element.at (added)
	* tests/regression/Atoms/Remove/post/test.conf (moved)
	* tests/regression/Atoms/Remove/post/test.in (moved)
	* tests/regression/Atoms/Remove/post/test.xyz (moved)
	* tests/regression/Atoms/Remove/pre/test.conf (moved)
	* tests/regression/Atoms/Remove/testsuite-atoms-remove.at (added)
	* tests/regression/Atoms/RemoveInsideCuboid/post/test-cuboid.xyz-sorted (moved)
	* tests/regression/Atoms/RemoveInsideCuboid/post/test-withoutcuboid.xyz-sorted (moved)
	* tests/regression/Atoms/RemoveInsideCuboid/post/test.xyz-sorted (moved)
	* tests/regression/Atoms/RemoveInsideCuboid/pre/test.xyz (moved)
	* tests/regression/Atoms/RemoveInsideCuboid/testsuite-atoms-remove-inside-cuboid.at (added)
	* tests/regression/Atoms/RemoveInsideSphere/post/test-sphere.xyz-sorted (moved)
	* tests/regression/Atoms/RemoveInsideSphere/post/test-withoutsphere.xyz-sorted (moved)
	* tests/regression/Atoms/RemoveInsideSphere/post/test.xyz-sorted (added)
	* tests/regression/Atoms/RemoveInsideSphere/pre/test.xyz (added)
	* tests/regression/Atoms/RemoveInsideSphere/testsuite-atoms-remove-inside-sphere.at (added)
	* tests/regression/Atoms/Translation/post/test-shifted.xyz (moved)
	* tests/regression/Atoms/Translation/post/test.xyz (moved)
	* tests/regression/Atoms/Translation/pre/test.xyz (moved)
	* tests/regression/Atoms/Translation/testsuite-atoms-translation.at (added)
	* tests/regression/Atoms/testsuite-atoms.at (added)
	* tests/regression/Makefile.am (modified)
	* tests/regression/testsuite-simple_configuration.at (modified)
	* tests/regression/testsuite.at (modified)

	Changed regression testsuite structure of Atoms.

	- All atom-related ...