# # ChangeLog for src/parser.cpp # # Generated by Trac 1.4.4 # Jan 3, 2025, 10:48:18 PM Mon, 18 Aug 2008 08:35:11 GMT Frederik Heber [8f019c] * src/analyzer.cpp (modified) * src/helpers.cpp (modified) * src/joiner.cpp (modified) * src/parser.cpp (modified) * src/parser.hpp (modified) Splitting MatrrixContainer::ParseMatrix in ParseMatrix ParseMatrix ... Wed, 06 Aug 2008 08:37:04 GMT Frederik Heber [fb9364] * src/datacreator.cpp (modified) * src/parser.cpp (modified) The entries in the Header of ForceMatrix are now separated by tabs, ... Thu, 24 Jul 2008 14:00:19 GMT Frederik Heber [390248] * src/analyzer.cpp (modified) * src/datacreator.cpp (modified) * src/datacreator.hpp (modified) * src/defs.hpp (modified) * src/joiner.cpp (modified) * src/moleculelist.cpp (modified) * src/molecules.cpp (modified) * src/molecules.hpp (modified) * src/parser.cpp (modified) * src/parser.hpp (modified) BIG change: Hcorrection included and bugfix of analyzer (wrt forces) ... Fri, 27 Jun 2008 21:14:58 GMT Frederik Heber [68cb0f] * src/Makefile.am (modified) * src/analyzer.cpp (modified) * src/boundary.cpp (modified) * src/builder.cpp (modified) * src/defs.hpp (modified) * src/element.cpp (modified) * src/joiner.cpp (modified) * src/molecules.hpp (modified) * src/parser.cpp (modified) * src/parser.hpp (modified) * src/periodentafel.cpp (modified) * src/periodentafel.hpp (added) introduced shieldings to analyzer and joiner both now handle ... Fri, 20 Jun 2008 08:08:13 GMT Frederik Heber [d250b2] * src/parser.cpp (modified) MatrixContainer::ParseMatrix(): BUGFIX - line_s_.eof() Bug was ... Sat, 07 Jun 2008 13:20:30 GMT Frederik Heber [fa40b5] * src/analyzer.cpp (modified) * src/bond.cpp (modified) * src/datacreator.cpp (modified) * src/element.cpp (modified) * src/parser.cpp (modified) these are all smaller fixes due to extensively enabled compiler ... Fri, 23 May 2008 09:17:19 GMT Frederik Heber [7f3b9d] * src/analyzer.cpp (modified) * src/builder.cpp (modified) * src/config.cpp (modified) * src/datacreator.cpp (modified) * src/helpers.cpp (modified) * src/helpers.hpp (modified) * src/moleculelist.cpp (modified) * src/molecules.cpp (modified) * src/molecules.hpp (modified) * src/parser.cpp (modified) * src/stackclass.hpp (modified) * src/vector.cpp (modified) * src/verbose.cpp (modified) Lots of for loops now count in reverse order where it does not ... Wed, 21 May 2008 11:18:11 GMT Frederik Heber [6097ea] * src/parser.cpp (modified) * src/parser.hpp (modified) ParseMatrix(): char * to string, Contains() hat KeySetContainer:: ... Fri, 09 May 2008 12:49:30 GMT Frederik Heber [6f6a8e] * src/parser.cpp (modified) some comments for where "F" and where "E" terms are created Thu, 08 May 2008 12:00:24 GMT Frederik Heber [fe5589] * src/parser.cpp (modified) Matrix::ParseMatrix()L: comment makes it clearer at what fragment ... Wed, 07 May 2008 13:35:09 GMT Frederik Heber [db066d] * src/parser.cpp (modified) changed comments a bit Tue, 06 May 2008 09:48:00 GMT Frederik Heber [7b4261] * src/parser.cpp (modified) MatrixContainer::MatrixContainer() debug message fixes only, ... Mon, 05 May 2008 16:54:44 GMT Frederik Heber [3c4b08] * src/parser.cpp (modified) joiner crashed due to incorrect destructing of MatrixContainer, ... Mon, 05 May 2008 16:19:05 GMT Frederik Heber [2459b1] * src/analyzer.cpp (modified) * src/defs.hpp (modified) * src/joiner.cpp (modified) * src/moleculelist.cpp (modified) * src/molecules.cpp (modified) * src/molecules.hpp (modified) * src/parser.cpp (modified) ForcesFile and TEFactors are _needed_, reincorporated. ... Fri, 02 May 2008 15:18:05 GMT Frederik Heber [3b15bb] * src/parser.cpp (modified) ~MatrixContainer(): Bugfix - Free if Matrix[MatrixCounter] would also ... Fri, 02 May 2008 13:25:48 GMT Frederik Heber [db942e] * src/analyzer.cpp (modified) * src/atom.cpp (modified) * src/builder.cpp (modified) * src/defs.hpp (modified) * src/joiner.cpp (modified) * src/moleculelist.cpp (modified) * src/molecules.cpp (modified) * src/molecules.hpp (modified) * src/parser.cpp (modified) * src/vector.cpp (modified) HUGE REWRITE to allow for adaptive increase of the bond order, first ... Mon, 28 Apr 2008 11:36:11 GMT Frederik Heber [10f641] * src/defs.hpp (modified) * src/moleculelist.cpp (modified) * src/molecules.cpp (modified) * src/parser.cpp (modified) * src/parser.hpp (modified) * src/periodentafel.cpp (modified) All filenames (const char *) have been transferred to defs.hpp ... Thu, 24 Apr 2008 17:03:14 GMT Frederik Heber [6dea43] * src/helpers.hpp (modified) * src/molecules.hpp (modified) * src/parser.cpp (modified) * src/parser.hpp (modified) ADDHYDROGEN and HAVE_DEBUG fix: config.h was not yet included ... Fri, 18 Apr 2008 11:26:42 GMT Frederik Heber [14de469] * AUTHORS (added) * ChangeLog (added) * Makefile.am (added) * NEWS (added) * README (added) * autogen.sh (added) * configure.ac (added) * doc/Doxyfile (added) * doc/Makefile.am (added) * m4/ac_doxygen.m4 (added) * src/Hbondangle.db (added) * src/Hbonddistance.db (added) * src/Makefile.am (added) * src/analyzer.cpp (added) * src/atom.cpp (added) * src/bond.cpp (added) * src/builder.cpp (added) * src/config.cpp (added) * src/datacreator.cpp (added) * src/datacreator.hpp (added) * src/defs.hpp (added) * src/element.cpp (added) * src/elements.db (added) * src/graph.cpp (added) * src/helpers.cpp (added) * src/helpers.hpp (added) * src/joiner.cpp (added) * src/moleculelist.cpp (added) * src/molecules.cpp (added) * src/molecules.hpp (added) * src/orbitals.db (added) * src/parser.cpp (added) * src/parser.hpp (added) * src/periodentafel.cpp (added) * src/valence.db (added) * src/vector.cpp (added) * src/verbose.cpp (added) -initial commit -Minimum set of files needed from ESPACK SVN ...