source:
molecuilder/src@
59a745
| Name | Size | Rev | Age | Author | Last Change |
|---|---|---|---|---|---|
| ../ | |||||
| #border.cpp# | 9.2 KB | e0c5b1 | 17 years | Multiple changes to boundary, currently not fully operational. … | |
| #makefile# | 113 bytes | e0c5b1 | 17 years | Multiple changes to boundary, currently not fully operational. … | |
| #molecules.hpp# | 17.6 KB | e0c5b1 | 17 years | Multiple changes to boundary, currently not fully operational. … | |
| analyzer.cpp | 33.6 KB | 97c751 | 17 years | Chi integration had some copy&paste error | |
| atom.cpp | 2.7 KB | 848729 | 17 years | Just a temporary commit | |
| bond.cpp | 4.0 KB | 848729 | 17 years | Just a temporary commit | |
| boundary.cpp | 101.7 KB | 848729 | 17 years | Just a temporary commit | |
| boundary.hpp | 3.7 KB | 848729 | 17 years | Just a temporary commit | |
| builder.cpp | 68.3 KB | f23d7d | 17 years | Basis for MPQC can now be specified via command line switch * -B is … | |
| config.cpp | 72.8 KB | f23d7d | 17 years | Basis for MPQC can now be specified via command line switch * -B is … | |
| datacreator.cpp | 35.0 KB | 848729 | 17 years | Just a temporary commit | |
| datacreator.hpp | 4.6 KB | 848729 | 17 years | Just a temporary commit | |
| defs.hpp | 4.9 KB | 848729 | 17 years | Just a temporary commit | |
| element.cpp | 1.4 KB | 848729 | 17 years | Just a temporary commit | |
| elements.db | 4.4 KB | 848729 | 17 years | Just a temporary commit | |
| graph.cpp | 885 bytes | 848729 | 17 years | Just a temporary commit | |
| graph.hpp | 1.5 KB | 650212 | 17 years | Begin of implementing classes Graph, SubGraph, Node and Edge. So far … | |
| Hbondangle.db | 180 bytes | 848729 | 17 years | Just a temporary commit | |
| Hbonddistance.db | 204 bytes | 848729 | 17 years | Just a temporary commit | |
| helpers.cpp | 5.7 KB | 848729 | 17 years | Just a temporary commit | |
| helpers.hpp | 8.3 KB | 848729 | 17 years | Just a temporary commit | |
| joiner.cpp | 11.2 KB | 97c751 | 17 years | Chi integration had some copy&paste error | |
| Makefile.am | 854 bytes | 848729 | 17 years | Just a temporary commit | |
| moleculelist.cpp | 32.3 KB | f23d7d | 17 years | Basis for MPQC can now be specified via command line switch * -B is … | |
| molecules.cpp | 246.4 KB | 848729 | 17 years | Just a temporary commit | |
| molecules.hpp | 18.7 KB | f23d7d | 17 years | Basis for MPQC can now be specified via command line switch * -B is … | |
| orbitals.db | 442 bytes | 848729 | 17 years | Just a temporary commit | |
| parser.cpp | 46.7 KB | 848729 | 17 years | Just a temporary commit | |
| parser.hpp | 4.4 KB | 848729 | 17 years | Just a temporary commit | |
| periodentafel.cpp | 9.3 KB | 848729 | 17 years | Just a temporary commit | |
| periodentafel.hpp | 2.5 KB | 848729 | 17 years | Just a temporary commit | |
| ReMapDBondFileFromXYZ.py | 5.9 KB | 3e20fe | 17 years | Parses a pdb and xyz file and decideds which atoms are in both and … | |
| stackclass.hpp | 9.0 KB | 848729 | 17 years | Just a temporary commit | |
| TAGS | 13.1 KB | e0c5b1 | 17 years | Multiple changes to boundary, currently not fully operational. … | |
| valence.db | 1.5 KB | 848729 | 17 years | Just a temporary commit | |
| vector.cpp | 25.5 KB | 848729 | 17 years | Just a temporary commit | |
| vector.hpp | 2.1 KB | 848729 | 17 years | Just a temporary commit | |
| verbose.cpp | 1.7 KB | 848729 | 17 years | Just a temporary commit | |
|
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