#
# ChangeLog for src/Parser/Psi3Parser.hpp
#
# Generated by Trac 1.4.4
# Mar 16, 2025, 11:21:22 AM

Fri, 24 Jul 2015 16:44:35 GMT Frederik Heber <heber@…> [fac58f]
	* src/Fragmentation/Exporters/SaturatedFragment.cpp (modified)
	* src/Parser/FormatParser.hpp (modified)
	* src/Parser/FormatParserInterface.hpp (modified)
	* src/Parser/FormatParserStorage.cpp (modified)
	* src/Parser/FormatParserStorage.hpp (modified)
	* src/Parser/FormatParser_common.cpp (modified)
	* src/Parser/MpqcParser.cpp (modified)
	* src/Parser/MpqcParser.hpp (modified)
	* src/Parser/PcpParser.cpp (modified)
	* src/Parser/PcpParser.hpp (modified)
	* src/Parser/PdbParser.cpp (modified)
	* src/Parser/PdbParser.hpp (modified)
	* src/Parser/Psi3Parser.cpp (modified)
	* src/Parser/Psi3Parser.hpp (modified)
	* src/Parser/TremoloParser.cpp (modified)
	* src/Parser/TremoloParser.hpp (modified)
	* src/Parser/XmlParser.cpp (modified)
	* src/Parser/XmlParser.hpp (modified)
	* src/Parser/XyzParser.cpp (modified)
	* src/Parser/XyzParser.hpp (modified)
	* src/Parser/unittests/ParserMpqcUnitTest.cpp (modified)
	* src/Parser/unittests/ParserPcpUnitTest.cpp (modified)
	* src/Parser/unittests/ParserPdbUnitTest.cpp (modified)
	* src/Parser/unittests/ParserPsi3UnitTest.cpp (modified)
	* src/Parser/unittests/ParserTremoloUnitTest.cpp (modified)
	* src/Parser/unittests/ParserXmlUnitTest.cpp (modified)
	* src/Parser/unittests/ParserXyzUnitTest.cpp (modified)
	* src/moleculelist.cpp (modified)

	Converted FormatParser::save() to using vector of const atom ptrs.
 ...


Wed, 13 Feb 2013 15:47:45 GMT Frederik Heber <heber@…> [a2f5e5]
	* src/Parser/MpqcParser_Parameters.cpp (modified)
	* src/Parser/MpqcParser_Parameters.hpp (modified)
	* src/Parser/Psi3Parser.hpp (modified)
	* src/Parser/Psi3Parser_Parameters.cpp (modified)
	* src/Parser/Psi3Parser_Parameters.hpp (modified)
	* src/Parser/unittests/ParserPsi3UnitTest.cpp (modified)

	FIX: Cleaned up includes in Psi3Parser_Parameters.


Fri, 14 Dec 2012 14:29:34 GMT Frederik Heber <heber@…> [7ace68]
	* src/Parser/Psi3Parser.cpp (modified)
	* src/Parser/Psi3Parser.hpp (modified)
	* src/Parser/unittests/ParserPsi3UnitTest.cpp (modified)
	* tests/regression/Parser/Psi3/pre/testtwocon.psi (modified)
	* tests/regression/Parser/Psi3/pre/testuhf.psi (modified)

	Added multiplicity guesser for Psi3Parser's UHF.

	- TESTFIX: changed ...


Wed, 04 Apr 2012 11:30:11 GMT Frederik Heber <heber@…> [03a589]
	* src/Analysis/unittests/CountBondsUnitTest.cpp (modified)
	* src/Atom/atom.cpp (modified)
	* src/Atom/atom.hpp (modified)
	* src/Parser/MpqcParser.cpp (modified)
	* src/Parser/MpqcParser.hpp (modified)
	* src/Parser/Psi3Parser.cpp (modified)
	* src/Parser/Psi3Parser.hpp (modified)
	* src/molecule.cpp (modified)
	* src/molecule.hpp (modified)

	Removed lots of remnant output functions in atom and molecule that ...


Mon, 17 Oct 2011 16:56:36 GMT Frederik Heber <heber@…> [1bef07]
	* src/Parser/FormatParserStorage.cpp (modified)
	* src/Parser/Makefile.am (modified)
	* src/Parser/ParserTypes.def (modified)
	* src/Parser/Psi3Parser.cpp (added)
	* src/Parser/Psi3Parser.hpp (added)
	* src/Parser/Psi3Parser_Parameters.cpp (added)
	* src/Parser/Psi3Parser_Parameters.hpp (added)
	* src/Parser/unittests/Makefile.am (modified)
	* src/Parser/unittests/ParserPsi3UnitTest.cpp (added)
	* src/Parser/unittests/ParserPsi3UnitTest.hpp (added)

	Added first working version of a Psi3Parser.

	- is so far mostly ...