source: src/Fragmentation/Exporters@ 2d50a2

Name Size Rev Age Author Last Change
../
unittests d734ff   11 years FrederikHeber Added more unit test functions up to N=8 to …
SphericalPointDistribution_getPoints.cpp 12.7 KB 0d4daf   11 years FrederikHeber Moved all code from header of SphericalPointDistribution into cpp module.
SphericalPointDistribution.hpp 3.9 KB 90426a   11 years FrederikHeber Added Logging to SphericalPointDistribution for debugging.
SphericalPointDistribution.cpp 13.4 KB 2d50a2   11 years FrederikHeber Implemented rotations via boost::quaternions.
SaturatedFragment.hpp 6.9 KB e139180   11 years FrederikHeber Fixes to SaturatedFragment::saturateFragment(). - properly setting up …
SaturatedFragment.cpp 24.6 KB e139180   11 years FrederikHeber Fixes to SaturatedFragment::saturateFragment(). - properly setting up …
HydrogenPool.hpp 2.4 KB 11f0fa   12 years FrederikHeber FIX: Newly created atoms must have trajectories reaching out till …
HydrogenPool.cpp 4.4 KB 11f0fa   12 years FrederikHeber FIX: Newly created atoms must have trajectories reaching out till …
ExportGraph_ToJobs.hpp 1.3 KB ac9ca4   13 years FrederikHeber FragmentAction creates FragmentJobs if no output-types are given. - …
ExportGraph_ToJobs.cpp 4.5 KB 1dfe00   11 years FrederikHeber Added inclusion switch on HAVE_JOBMARKET for files depending on …
ExportGraph_ToFiles.hpp 2.2 KB 7cdf58   13 years FrederikHeber ExportGraph_ToFiles now uses one-by-one procedure to store fragments. …
ExportGraph_ToFiles.cpp 8.2 KB 5aaa43   12 years FrederikHeber FIX: Fixed new copyright line since start of 2013 in CodeChecks test. …
ExportGraph.hpp 3.1 KB 06804b   11 years FrederikHeber Removed molecule::AddHydrogenReplacement() and BreadthFirstSearchAdd. …
ExportGraph.cpp 9.7 KB 06804b   11 years FrederikHeber Removed molecule::AddHydrogenReplacement() and BreadthFirstSearchAdd. …
  • Property mode set to 040000
Note: See TracBrowser for help on using the repository browser.