# # ChangeLog for tests/regression/Parser/Psi3 # # Generated by Trac 1.6 # Jun 12, 2025, 5:05:49 AM Thu, 09 Aug 2012 12:51:10 GMT Michael Ankele [072f0e] * src/Actions/GlobalListOfActions.hpp (modified) * src/Actions/Makefile.am (modified) * src/Actions/WorldAction/OutputAsAction.cpp (moved) * src/Actions/WorldAction/OutputAsAction.def (moved) * src/Actions/WorldAction/OutputAsAction.hpp (moved) * tests/Python/AllActions/missing.dat (modified) * tests/Python/AllActions/options.dat (modified) * tests/regression/Parser/Mpqc/testsuite-parser-mpqc-save.at (modified) * tests/regression/Parser/Pcp/testsuite-parser-pcp-save.at (modified) * tests/regression/Parser/Pdb/testsuite-parser-pdb-save.at (modified) * tests/regression/Parser/Psi3/testsuite-parser-psi3-save.at (modified) * tests/regression/Parser/Tremolo/testsuite-parser-tremolo-save.at (modified) * tests/regression/Parser/Xyz/testsuite-parser-xyz-save.at (modified) * utils/Python/boxmaker.py.in (modified) Refactoring: renamed OutputAction -> OutputAsAction Fri, 06 Jan 2012 14:02:08 GMT Frederik Heber [c0e28c] * src/Parser/FormatParser_common.cpp (modified) * src/Parser/FormatParser_common.hpp (modified) * src/Parser/PdbParser.cpp (modified) * src/Parser/PdbParser.hpp (modified) * src/Parser/TremoloParser.cpp (modified) * src/Parser/TremoloParser.hpp (modified) * src/Parser/unittests/ParserPdbUnitTest.cpp (modified) * tests/regression/Makefile.am (modified) * tests/regression/Parser/Mpqc/post/doublewater.in (added) * tests/regression/Parser/Mpqc/pre/water.in (added) * tests/regression/Parser/Mpqc/testsuite-parser-mpqc-load-multiply.at (added) * tests/regression/Parser/Pcp/post/doubletest.conf (added) * tests/regression/Parser/Pcp/post/doublewater.conf (added) * tests/regression/Parser/Pcp/pre/water.conf (added) * tests/regression/Parser/Pcp/testsuite-parser-pcp-load-multiply.at (added) * tests/regression/Parser/Pdb/post/doublewater.pdb (added) * tests/regression/Parser/Pdb/pre/water.pdb (added) * tests/regression/Parser/Pdb/testsuite-parser-pdb-load-multiply.at (added) * tests/regression/Parser/Psi3/post/doublewater.psi (added) * tests/regression/Parser/Psi3/pre/water.psi (added) * tests/regression/Parser/Psi3/testsuite-parser-psi3-load-multiply.at (added) * tests/regression/Parser/Tremolo/post/doublewater.data (added) * tests/regression/Parser/Tremolo/pre/water.data (added) * tests/regression/Parser/Tremolo/testsuite-parser-tremolo-load-multiply.at (added) * tests/regression/Parser/Xyz/post/doublewater.xyz (added) * tests/regression/Parser/Xyz/pre/water.xyz (added) * tests/regression/Parser/Xyz/testsuite-parser-xyz-load-multiply.at (added) * tests/regression/Parser/testsuite-parser.at (modified) FIX: One could not load another pdb file due to local ids messing up. ... Tue, 18 Oct 2011 08:32:28 GMT Frederik Heber [752bb4] * src/Parser/Psi3Parser.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) Added regression test Parser/Psi3. - this is heavily inspired from ...