source:
src/Fragmentation/Exporters@
cdac1d
| Name | Size | Rev | Age | Author | Last Change |
|---|---|---|---|---|---|
| ../ | |||||
| unittests | 64cafb2 | 9 years | Revert "Trimmed down SphericalPointDistribution to what is needed at … | ||
| ExportGraph.cpp | 9.7 KB | 2affd1 | 9 years | Removed molecules_deprecated from World and unnecessary includes of … | |
| ExportGraph.hpp | 3.4 KB | df5b8c | 9 years | Replaced MoleculeListClass in ExportGraph by vector of molecules. - … | |
| ExportGraph_ToAtomFragments.cpp | 3.4 KB | d9dbef | 9 years | Added another ExportGraph for obtaining AtomFragmentsMap's … | |
| ExportGraph_ToAtomFragments.hpp | 1.4 KB | d9dbef | 9 years | Added another ExportGraph for obtaining AtomFragmentsMap's … | |
| ExportGraph_ToFiles.cpp | 8.3 KB | 2affd1 | 9 years | Removed molecules_deprecated from World and unnecessary includes of … | |
| ExportGraph_ToFiles.hpp | 2.3 KB | df5b8c | 9 years | Replaced MoleculeListClass in ExportGraph by vector of molecules. - … | |
| ExportGraph_ToJobs.cpp | 4.7 KB | 9593d1 | 9 years | FIX: Picking maximum axis length in ExportGraph_ToJobs for MPQCJob. - … | |
| ExportGraph_ToJobs.hpp | 1.5 KB | 2affd1 | 9 years | Removed molecules_deprecated from World and unnecessary includes of … | |
| HydrogenPool.cpp | 4.4 KB | 910a5d | 10 years | atom::father is now accessible through getter and setter only. - this … | |
| HydrogenPool.hpp | 2.4 KB | 11f0fa | 12 years | FIX: Newly created atoms must have trajectories reaching out till … | |
| SaturatedBond.cpp | 4.4 KB | 2312fc6 | 9 years | SaturateBond now uses default angle and Bond length with warning when … | |
| SaturatedBond.hpp | 2.2 KB | bac32f | 11 years | Added SaturatedBond as container for a "dangling bond" and its … | |
| SaturatedFragment.cpp | 25.0 KB | ce70d25 | 9 years | Added some asserts and checks in context of SaturatedFragment and … | |
| SaturatedFragment.hpp | 8.2 KB | 98a293b | 11 years | SaturatedFragment can deal with a global saturation position map. - … | |
| SaturationDistanceMaximizer.cpp | 10.1 KB | 185e6f | 11 years | MEMFIX: SaturationDistanceMaximizer::operator() did not delete Advocate. | |
| SaturationDistanceMaximizer.hpp | 3.7 KB | 2a6d8c | 11 years | DOCUFIX: Doyxygen formula was broken in SaturationDistanceMaximizer. | |
| SphericalPointDistribution.cpp | 12.1 KB | cdac1d | 9 years | Extended SaturateAction to be able to deal with bonded atoms. - … | |
| SphericalPointDistribution.hpp | 3.7 KB | cdac1d | 9 years | Extended SaturateAction to be able to deal with bonded atoms. - … | |
| SphericalPointDistribution_getPoints.cpp | 12.8 KB | cdac1d | 9 years | Extended SaturateAction to be able to deal with bonded atoms. - … | |
|
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