source: src/Fragmentation/Summation@ 1640be

Add_FitFragmentPartialChargesAction Fix_ChargeSampling_PBC Fix_FitPartialCharges
Name Size Rev Age Author Last Change
../
Containers 45f4b6b   9 years FrederikHeber FragmentationLongRangeResults requires additional zeroinstance in …
Converter 94db13   10 years FrederikHeber Again changes to obtain correct longrange forces, also forces are …
SetValues 1640be   9 years FrederikHeber tempcommit: Merge with ad6485c8
unittests 748fc7   11 years FrederikHeber libMolecuilder is now a shared library. - linking error …
AllLevelOrthogonalSummator.hpp 4.9 KB da098d2   9 years FrederikHeber ..Summators and AllLevel..Summators pass through ZeroInstance, added …
AllLevelSummator.hpp 4.8 KB da098d2   9 years FrederikHeber ..Summators and AllLevel..Summators pass through ZeroInstance, added …
HeaderPrinter.hpp 1.1 KB 47cee7   12 years FrederikHeber Writing out energy file with value and contribution per index set - …
IndexSet.cpp 3.7 KB 146c26d   13 years FrederikHeber Added class IndexSet and unit test. - IndexSet contains the set of …
IndexSet.hpp 1.9 KB c8d13f5   12 years FrederikHeber Summed up results are now handed-over to FragmentationResultContainer
IndexSetContainer.cpp 4.7 KB a2a2f7   11 years FrederikHeber Huge warning fix. - fixed unused variables. - fixed set but unused …
IndexSetContainer.hpp 3.9 KB 781408   12 years FrederikHeber FIX: Added inline comparators for IndexSet::ptr, fixed …
Makefile.am 4.0 KB da098d2   9 years FrederikHeber ..Summators and AllLevel..Summators pass through ZeroInstance, added …
OrthogonalSummation.hpp 2.4 KB ff7ac6   9 years FrederikHeber BREAKS: Summation and OrthogonalSummation both now allow to set a …
OrthogonalSummation_impl.hpp 2.6 KB 3d444a   9 years FrederikHeber (Orthogonal)Summation's Sum() can be further simplified now.
OrthogonalSummator.hpp 7.3 KB da098d2   9 years FrederikHeber ..Summators and AllLevel..Summators pass through ZeroInstance, added …
OrthogonalSumUpPerLevel.hpp 3.3 KB 409a05   9 years FrederikHeber ..SumUpPerLevel are now functors that allow to set the zero instance …
printKeyNames.hpp 732 bytes 1f66c7   13 years FrederikHeber Renamed and extracted namespace FusionKeyNames -> printKeyNames. - …
SetValue.hpp 4.4 KB 58952a   12 years FrederikHeber SetValue treats ZeroInstance as value special. - ZeroInstance in …
SetValueMap.hpp 3.5 KB 07266b   13 years FrederikHeber Added SetValueMap::getConstValue() for getting const reference to SetValue.
SortedVector.hpp 4.3 KB 19c50e   13 years FrederikHeber IndexSetContainer now treats super set specially. - The super set …
SubsetMap.cpp 7.6 KB 5aaa43   12 years FrederikHeber FIX: Fixed new copyright line since start of 2013 in CodeChecks test. …
SubsetMap.hpp 3.5 KB 19c50e   13 years FrederikHeber IndexSetContainer now treats super set specially. - The super set …
Summation.hpp 2.3 KB ff7ac6   9 years FrederikHeber BREAKS: Summation and OrthogonalSummation both now allow to set a …
Summation_impl.hpp 2.5 KB 3d444a   9 years FrederikHeber (Orthogonal)Summation's Sum() can be further simplified now.
Summator.hpp 7.1 KB da098d2   9 years FrederikHeber ..Summators and AllLevel..Summators pass through ZeroInstance, added …
SumUpPerLevel.hpp 2.9 KB 409a05   9 years FrederikHeber ..SumUpPerLevel are now functors that allow to set the zero instance …
ValuePrinter.hpp 1.3 KB 47cee7   12 years FrederikHeber Writing out energy file with value and contribution per index set - …
writeIndexedTable.hpp 2.8 KB c8d13f5   12 years FrederikHeber Summed up results are now handed-over to FragmentationResultContainer
writeTable.hpp 1.7 KB 47cee7   12 years FrederikHeber Writing out energy file with value and contribution per index set - …
ZeroInstance.hpp 854 bytes 58952a   12 years FrederikHeber SetValue treats ZeroInstance as value special. - ZeroInstance in …
ZeroInstanceInitializer.hpp 1.4 KB da098d2   9 years FrederikHeber ..Summators and AllLevel..Summators pass through ZeroInstance, added …
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