source:
molecuilder/src@
2614f83
| Name | Size | Rev | Age | Author | Last Change |
|---|---|---|---|---|---|
| ../ | |||||
| analyzer.cpp | 23.4 KB | bd8439 | 17 years | main(): thrown out unused stringstreams prefix and line | |
| atom.cpp | 10.8 KB | 090299 | 17 years | molecuilder reads and stored ion velocities Class atom has new … | |
| bond.cpp | 3.9 KB | a0bcf1 | 17 years | -initial commit -Minimum set of files needed from ESPACK SVN … | |
| builder.cpp | 47.7 KB | a829d1 | 17 years | new elementsdb-switch and command line options parsing parts moved … | |
| config.cpp | 56.2 KB | 090299 | 17 years | molecuilder reads and stored ion velocities Class atom has new … | |
| datacreator.cpp | 21.0 KB | a0bcf1 | 17 years | -initial commit -Minimum set of files needed from ESPACK SVN … | |
| datacreator.hpp | 3.3 KB | a0bcf1 | 17 years | -initial commit -Minimum set of files needed from ESPACK SVN … | |
| defs.hpp | 1.6 KB | 370060 | 17 years | added VERSIONSTRING | |
| element.cpp | 1.3 KB | a0bcf1 | 17 years | -initial commit -Minimum set of files needed from ESPACK SVN … | |
| elements.db | 4.4 KB | a0bcf1 | 17 years | -initial commit -Minimum set of files needed from ESPACK SVN … | |
| graph.cpp | 266 bytes | a0bcf1 | 17 years | -initial commit -Minimum set of files needed from ESPACK SVN … | |
| Hbondangle.db | 144 bytes | a0bcf1 | 17 years | -initial commit -Minimum set of files needed from ESPACK SVN … | |
| Hbonddistance.db | 170 bytes | a0bcf1 | 17 years | -initial commit -Minimum set of files needed from ESPACK SVN … | |
| helpers.cpp | 5.2 KB | da83f8 | 17 years | added --enable-optimization, thrown -g -O specifics out of … | |
| helpers.hpp | 2.5 KB | 77da65 | 17 years | ADDHYDROGEN and HAVE_DEBUG fix: config.h was not yet included … | |
| joiner.cpp | 5.1 KB | a0bcf1 | 17 years | -initial commit -Minimum set of files needed from ESPACK SVN … | |
| Makefile.am | 796 bytes | da83f8 | 17 years | added --enable-optimization, thrown -g -O specifics out of … | |
| moleculelist.cpp | 32.5 KB | 23409a | 17 years | OutputConfigForListOfFragments(): various ofstream gathered into a … | |
| molecules.cpp | 184.4 KB | 2614f83 | 17 years | FragmentMolecule(): Adjacency store/check and parsing of KeySetFile … | |
| molecules.hpp | 22.8 KB | 2614f83 | 17 years | FragmentMolecule(): Adjacency store/check and parsing of KeySetFile … | |
| orbitals.db | 41 bytes | a0bcf1 | 17 years | -initial commit -Minimum set of files needed from ESPACK SVN … | |
| parser.cpp | 23.9 KB | 77da65 | 17 years | ADDHYDROGEN and HAVE_DEBUG fix: config.h was not yet included … | |
| parser.hpp | 3.0 KB | 77da65 | 17 years | ADDHYDROGEN and HAVE_DEBUG fix: config.h was not yet included … | |
| periodentafel.cpp | 8.3 KB | b021e4 | 17 years | Load/StorePeriodentafel(): filename as parameter, if NULL default name … | |
| valence.db | 1.5 KB | a0bcf1 | 17 years | -initial commit -Minimum set of files needed from ESPACK SVN … | |
| vector.cpp | 22.3 KB | a0bcf1 | 17 years | -initial commit -Minimum set of files needed from ESPACK SVN … | |
| verbose.cpp | 1.7 KB | a0bcf1 | 17 years | -initial commit -Minimum set of files needed from ESPACK SVN … | |
|
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