source:
src/Jobs@
ff4fff9
Name | Size | Rev | Age | Author | Last Change |
---|---|---|---|---|---|
../ | |||||
JobMarket | 99692c | 10 years | FIX: Preparation of temporary filename in SystemCommandJob now working … | ||
unittests | 748fc7 | 10 years | libMolecuilder is now a shared library. - linking error … | ||
ChargeSmearer.cpp | 4.7 KB | 62d092 | 9 years | Rewrote ChargeSmearer to use visitor pattern. - this is used for … | |
ChargeSmearer.hpp | 3.9 KB | 62d092 | 9 years | Rewrote ChargeSmearer to use visitor pattern. - this is used for … | |
InterfaceVMGDebugGridJob.cpp | 3.0 KB | b123a5 | 12 years | Shifted functions to add window onto grid into own namespace. - … | |
InterfaceVMGDebugGridJob.hpp | 1.3 KB | f6c19d | 11 years | InterfaceVMGDebugJob now also uses optionally open boundary (FAS … | |
InterfaceVMGJob.cpp | 14.2 KB | 7debff | 9 years | VMGData additionally stores absolute residual. - we check for … | |
InterfaceVMGJob.hpp | 2.3 KB | 17e4fd | 9 years | Added new option DoSmearElectronicCharges to … | |
Makefile.am | 4.1 KB | cceb8c | 9 years | Added ChargeSmearer that is only compiled for CONDVMG. - we store the … | |
MPQCCommandJob.cpp | 5.6 KB | 20bb3b | 9 years | MPQCData now also uses FragmentForces (instead of typedef … | |
MPQCCommandJob.hpp | 2.3 KB | d6a7b9 | 10 years | Specifying executable and suffix in SystemCommandJob with … | |
MPQCCommandJob_binding.hpp | 574 bytes | 4d4ef8 | 12 years | FIX: Enforce binding to libMolecuilderJobs for Server and PoolWorker. … | |
MPQCJob.cpp | 2.8 KB | 9ff818 | 9 years | MPQCJob and VMGJob contain reached and desired accuracy. - both set … | |
MPQCJob.hpp | 1.8 KB | 1dfe00 | 11 years | Added inclusion switch on HAVE_JOBMARKET for files depending on … | |
MPQCJob_binding.hpp | 612 bytes | 3d9a8d | 12 years | SamplingGrid has no more size parameter but an end array. - this … | |
VMGDebugGridJob.cpp | 5.2 KB | f6c19d | 11 years | InterfaceVMGDebugJob now also uses optionally open boundary (FAS … | |
VMGDebugGridJob.hpp | 2.0 KB | f6c19d | 11 years | InterfaceVMGDebugJob now also uses optionally open boundary (FAS … | |
VMGDebugGridJob_binding.hpp | 589 bytes | 4d4ef8 | 12 years | FIX: Enforce binding to libMolecuilderJobs for Server and PoolWorker. … | |
VMGJob.cpp | 8.5 KB | 7debff | 9 years | VMGData additionally stores absolute residual. - we check for … | |
VMGJob.hpp | 4.6 KB | 17e4fd | 9 years | Added new option DoSmearElectronicCharges to … | |
VMGJob_binding.hpp | 629 bytes | 4d4ef8 | 12 years | FIX: Enforce binding to libMolecuilderJobs for Server and PoolWorker. … | |
WindowGrid_converter.cpp | 14.8 KB | 17e4fd | 9 years | Added new option DoSmearElectronicCharges to … | |
WindowGrid_converter.hpp | 1.5 KB | 17e4fd | 9 years | Added new option DoSmearElectronicCharges to … |
|
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