Changeset a0bcf1 for molecuilder/src

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/src

Files:

• Hbondangle.db (added)
• Hbonddistance.db (added)
• Makefile.am (added)
• analyzer.cpp (added)
• atom.cpp (added)
• bond.cpp (added)
• builder.cpp (added)
• config.cpp (added)
• datacreator.cpp (added)
• datacreator.hpp (added)
• defs.hpp (added)
• element.cpp (added)
• elements.db (added)
• graph.cpp (added)
• helpers.cpp (added)
• helpers.hpp (added)
• joiner.cpp (added)
• moleculelist.cpp (added)
• molecules.cpp (added)
• molecules.hpp (added)
• orbitals.db (added)
• parser.cpp (added)
• parser.hpp (added)
• periodentafel.cpp (added)
• valence.db (added)
• vector.cpp (added)
• verbose.cpp (added)