source:
src/Fragmentation/Exporters@
2d50a2
| Name | Size | Rev | Age | Author | Last Change |
|---|---|---|---|---|---|
| ../ | |||||
| unittests | d734ff | 11 years | Added more unit test functions up to N=8 to … | ||
| ExportGraph.cpp | 9.7 KB | 06804b | 11 years | Removed molecule::AddHydrogenReplacement() and BreadthFirstSearchAdd. … | |
| ExportGraph.hpp | 3.1 KB | 06804b | 11 years | Removed molecule::AddHydrogenReplacement() and BreadthFirstSearchAdd. … | |
| ExportGraph_ToFiles.cpp | 8.2 KB | 5aaa43 | 12 years | FIX: Fixed new copyright line since start of 2013 in CodeChecks test. … | |
| ExportGraph_ToFiles.hpp | 2.2 KB | 7cdf58 | 13 years | ExportGraph_ToFiles now uses one-by-one procedure to store fragments. … | |
| ExportGraph_ToJobs.cpp | 4.5 KB | 1dfe00 | 11 years | Added inclusion switch on HAVE_JOBMARKET for files depending on … | |
| ExportGraph_ToJobs.hpp | 1.3 KB | ac9ca4 | 13 years | FragmentAction creates FragmentJobs if no output-types are given. - … | |
| HydrogenPool.cpp | 4.4 KB | 11f0fa | 12 years | FIX: Newly created atoms must have trajectories reaching out till … | |
| HydrogenPool.hpp | 2.4 KB | 11f0fa | 12 years | FIX: Newly created atoms must have trajectories reaching out till … | |
| SaturatedFragment.cpp | 24.6 KB | e139180 | 11 years | Fixes to SaturatedFragment::saturateFragment(). - properly setting up … | |
| SaturatedFragment.hpp | 6.9 KB | e139180 | 11 years | Fixes to SaturatedFragment::saturateFragment(). - properly setting up … | |
| SphericalPointDistribution.cpp | 13.4 KB | 2d50a2 | 11 years | Implemented rotations via boost::quaternions. | |
| SphericalPointDistribution.hpp | 3.9 KB | 90426a | 11 years | Added Logging to SphericalPointDistribution for debugging. | |
| SphericalPointDistribution_getPoints.cpp | 12.7 KB | 0d4daf | 11 years | Moved all code from header of SphericalPointDistribution into cpp module. | |
|
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