|
../
|
|
unittests
|
|
748fc7
|
11 years
|
FrederikHeber |
libMolecuilder is now a shared library.
- linking error …
|
|
VMGDataMap.hpp
|
2.3 KB
|
e355b31
|
12 years
|
FrederikHeber |
Added both_sampled_potential to VMGData, analogous to …
|
|
VMGDataFused.hpp
|
1012 bytes
|
e355b31
|
12 years
|
FrederikHeber |
Added both_sampled_potential to VMGData, analogous to …
|
|
VMGData_printKeyNames.hpp
|
2.5 KB
|
e355b31
|
12 years
|
FrederikHeber |
Added both_sampled_potential to VMGData, analogous to …
|
|
VMGData.hpp
|
1.4 KB
|
e355b31
|
12 years
|
FrederikHeber |
Added both_sampled_potential to VMGData, analogous to …
|
|
VMGData.cpp
|
1.5 KB
|
5aaa43
|
12 years
|
FrederikHeber |
FIX: Fixed new copyright line since start of 2013 in CodeChecks test.
…
|
|
MPQCDataMap.hpp
|
4.4 KB
|
5c867e
|
13 years
|
FrederikHeber |
Added new SetValue Eigenvalues to just add up the set of eigenvalues.
…
|
|
MPQCDataFused.hpp
|
1.3 KB
|
5c867e
|
13 years
|
FrederikHeber |
Added new SetValue Eigenvalues to just add up the set of eigenvalues.
…
|
|
MPQCData_printKeyNames.hpp
|
2.6 KB
|
a3fc46
|
13 years
|
FrederikHeber |
FIX: Fixed printKeyName inclusions a bit.
- they are now inline functions.
|
|
MPQCData.hpp
|
3.4 KB
|
a2a2f7
|
12 years
|
FrederikHeber |
Huge warning fix.
- fixed unused variables.
- fixed set but unused …
|
|
MPQCData.cpp
|
3.1 KB
|
5aaa43
|
12 years
|
FrederikHeber |
FIX: Fixed new copyright line since start of 2013 in CodeChecks test.
…
|
|
Makefile.am
|
4.4 KB
|
3b35e7
|
11 years
|
FrederikHeber |
Fixes due to update to Ubuntu 14.04.
- subdir-objects is default …
|
|
FragmentationShortRangeResults.hpp
|
3.9 KB
|
d76d65
|
12 years
|
FrederikHeber |
FIX: MPQCDataFragmentMap_t can be summed up in …
|
|
FragmentationShortRangeResults.cpp
|
5.3 KB
|
d76d65
|
12 years
|
FrederikHeber |
FIX: MPQCDataFragmentMap_t can be summed up in …
|
|
FragmentationResultContainer.hpp
|
6.0 KB
|
18ed8c
|
11 years
|
FrederikHeber |
All HAVE_VMG also check for HAVE_JOBMARKET.
- right now VMG is not …
|
|
FragmentationResultContainer.cpp
|
4.4 KB
|
18ed8c
|
11 years
|
FrederikHeber |
All HAVE_VMG also check for HAVE_JOBMARKET.
- right now VMG is not …
|
|
FragmentationLongRangeResults.hpp
|
3.9 KB
|
d76d65
|
12 years
|
FrederikHeber |
FIX: MPQCDataFragmentMap_t can be summed up in …
|
|
FragmentationLongRangeResults.cpp
|
10.6 KB
|
d76d65
|
12 years
|
FrederikHeber |
FIX: MPQCDataFragmentMap_t can be summed up in …
|
|
FragmentationChargeDensity.hpp
|
1.9 KB
|
d76d65
|
12 years
|
FrederikHeber |
FIX: MPQCDataFragmentMap_t can be summed up in …
|
|
FragmentationChargeDensity.cpp
|
3.2 KB
|
d76d65
|
12 years
|
FrederikHeber |
FIX: MPQCDataFragmentMap_t can be summed up in …
|
|
extractJobIds.hpp
|
795 bytes
|
fbf143
|
13 years
|
FrederikHeber |
Placed Containers, Converter, and SetValues as subfolders into …
|
|
createMatrixNrLookup.hpp
|
751 bytes
|
e0ae58d
|
12 years
|
FrederikHeber |
createMatrixNrLookup now requires a ValueMask.
- adapted all …
|
|
createMatrixNrLookup.cpp
|
2.5 KB
|
e0ae58d
|
12 years
|
FrederikHeber |
createMatrixNrLookup now requires a ValueMask.
- adapted all …
|
