Changeset a0bcf1 for molecuilder

Timestamp:

Apr 18, 2008, 11:26:42 AM (18 years ago)

Author:

Frederik Heber <heber@…>

Children:

64ca279

Message:

-initial commit
-Minimum set of files needed from ESPACK SVN repository
-Switch to three tantamount package parts instead of all relating to pcp (as at some time Ralf's might find inclusion as well)

Location:

molecuilder

Files:

• 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)