source:
molecuilder/src@
7fcea6
| Name | Size | Rev | Age | Author | Last Change |
|---|---|---|---|---|---|
| ../ | |||||
| analyzer.cpp | 23.4 KB | 75793b2 | 17 years | these are all smaller fixes due to extensively enabled compiler … | |
| atom.cpp | 2.6 KB | d50d2a | 17 years | AtomStackClass -> template <typename T> StackClass<T> change in new … | |
| bond.cpp | 3.9 KB | 75793b2 | 17 years | these are all smaller fixes due to extensively enabled compiler … | |
| boundary.cpp | 45.0 KB | 7fcea6 | 17 years | Smaller fixes CreateClustersinWater is now PrepareClustersinWater (as … | |
| boundary.hpp | 3.4 KB | 7fcea6 | 17 years | Smaller fixes CreateClustersinWater is now PrepareClustersinWater (as … | |
| builder.cpp | 50.5 KB | 7fcea6 | 17 years | Smaller fixes CreateClustersinWater is now PrepareClustersinWater (as … | |
| config.cpp | 58.0 KB | 364fc0 | 17 years | fastparse was not yet working for more than one ion type moved … | |
| datacreator.cpp | 21.0 KB | 75793b2 | 17 years | these are all smaller fixes due to extensively enabled compiler … | |
| datacreator.hpp | 3.3 KB | a0bcf1 | 17 years | -initial commit -Minimum set of files needed from ESPACK SVN … | |
| defs.hpp | 3.5 KB | e292c10 | 17 years | VolumeOfConvexEnvelope: Works! VolumeOfConvexEnvelope has been … | |
| element.cpp | 1.4 KB | 75793b2 | 17 years | these are all smaller fixes due to extensively enabled compiler … | |
| 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 | 3b1427 | 17 years | BUGFIX: single letter FragmentNumbers gave "\n" as return string. … | |
| helpers.hpp | 8.2 KB | 9185c8 | 17 years | cosmetics | |
| joiner.cpp | 5.3 KB | 33c05d | 17 years | one lousy space added | |
| Makefile.am | 718 bytes | e292c10 | 17 years | VolumeOfConvexEnvelope: Works! VolumeOfConvexEnvelope has been … | |
| moleculelist.cpp | 23.2 KB | eefb8e | 17 years | OutputConfigForListOfFragments(): return of … | |
| molecules.cpp | 190.3 KB | e292c10 | 17 years | VolumeOfConvexEnvelope: Works! VolumeOfConvexEnvelope has been … | |
| molecules.hpp | 17.3 KB | e292c10 | 17 years | VolumeOfConvexEnvelope: Works! VolumeOfConvexEnvelope has been … | |
| orbitals.db | 41 bytes | a0bcf1 | 17 years | -initial commit -Minimum set of files needed from ESPACK SVN … | |
| parser.cpp | 24.3 KB | 75793b2 | 17 years | these are all smaller fixes due to extensively enabled compiler … | |
| parser.hpp | 2.8 KB | a6e314 | 17 years | ParseMatrix(): char * to string, Contains() hat KeySetContainer:: … | |
| periodentafel.cpp | 9.3 KB | dcf51d | 17 years | StorePeriodentafel(): BUGFIX - there still was elements.db instead of … | |
| stackclass.hpp | 9.0 KB | f75030 | 17 years | Lots of for loops now count in reverse order where it does not matter, … | |
| valence.db | 1.5 KB | a0bcf1 | 17 years | -initial commit -Minimum set of files needed from ESPACK SVN … | |
| vector.cpp | 24.5 KB | e292c10 | 17 years | VolumeOfConvexEnvelope: Works! VolumeOfConvexEnvelope has been … | |
| vector.hpp | 2.0 KB | e292c10 | 17 years | VolumeOfConvexEnvelope: Works! VolumeOfConvexEnvelope has been … | |
| verbose.cpp | 1.7 KB | f75030 | 17 years | Lots of for loops now count in reverse order where it does not matter, … | |
|
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