source: src/Fragmentation/Summation@ bb8b0a

FitPartialCharges_GlobalError PartialCharges_OrthogonalSummation
Name Size Rev Age Author Last Change
../
unittests 748fc7   11 years FrederikHeber libMolecuilder is now a shared library. - linking error …
SetValues 5b3781   8 years FrederikHeber Added IndexedPartialCharges.
Converter 346b0c   8 years FrederikHeber Extracted IndexedValue from IndexedVectors. - we may now sum up …
Containers 5b3781   8 years FrederikHeber Added IndexedPartialCharges.
ZeroInstanceInitializer.hpp 1.4 KB ​ da098d2   9 years FrederikHeber ..Summators and AllLevel..Summators pass through ZeroInstance, added …
ZeroInstance.hpp 854 bytes ​ 58952a   12 years FrederikHeber SetValue treats ZeroInstance as value special. - ZeroInstance in …
writeTable.hpp 1.7 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 …
ValuePrinter.hpp 1.3 KB ​ 47cee7   12 years FrederikHeber Writing out energy file with value and contribution per index set - …
SumUpPerLevel.hpp 2.9 KB ​ 409a05   9 years FrederikHeber ..SumUpPerLevel are now functors that allow to set the zero instance …
Summator.hpp 7.2 KB ​ dbd841   8 years FrederikHeber FIX: Fixed some missing includes in ..(Orthogonal)Summator.
Summation_impl.hpp 2.5 KB ​ 3d444a   9 years FrederikHeber (Orthogonal)Summation's Sum() can be further simplified now.
Summation.hpp 2.3 KB ​ ff7ac6   9 years FrederikHeber BREAKS: Summation and OrthogonalSummation both now allow to set a …
SubsetMap.hpp 3.5 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. …
SortedVector.hpp 4.3 KB ​ 19c50e   13 years FrederikHeber IndexSetContainer now treats super set specially. - The super set …
SetValueMap.hpp 3.5 KB ​ 07266b   13 years FrederikHeber Added SetValueMap::getConstValue() for getting const reference to SetValue.
SetValue.hpp 4.4 KB ​ 58952a   12 years FrederikHeber SetValue treats ZeroInstance as value special. - ZeroInstance in …
printKeyNames.hpp 732 bytes ​ 1f66c7   13 years FrederikHeber Renamed and extracted namespace FusionKeyNames -> printKeyNames. - …
OrthogonalSumUpPerLevel.hpp 3.3 KB ​ 409a05   9 years FrederikHeber ..SumUpPerLevel are now functors that allow to set the zero instance …
OrthogonalSummator.hpp 7.4 KB ​ dbd841   8 years FrederikHeber FIX: Fixed some missing includes in ..(Orthogonal)Summator.
OrthogonalSummation_impl.hpp 2.6 KB ​ 3d444a   9 years FrederikHeber (Orthogonal)Summation's Sum() can be further simplified now.
OrthogonalSummation.hpp 2.4 KB ​ ff7ac6   9 years FrederikHeber BREAKS: Summation and OrthogonalSummation both now allow to set a …
Makefile.am 4.0 KB ​ 0ee9cb3   8 years FrederikHeber FIX: Removed multiple instances of libmolecuilder_config.h in …
IndexSetContainer.hpp 3.9 KB ​ 781408   12 years FrederikHeber FIX: Added inline comparators for IndexSet::ptr, fixed …
IndexSetContainer.cpp 4.7 KB ​ a2a2f7   11 years FrederikHeber Huge warning fix. - fixed unused variables. - fixed set but unused …
IndexSet.hpp 1.9 KB ​ c8d13f5   12 years FrederikHeber Summed up results are now handed-over to FragmentationResultContainer …
IndexSet.cpp 3.7 KB ​ 146c26d   13 years FrederikHeber Added class IndexSet and unit test. - IndexSet contains the set of …
HeaderPrinter.hpp 1.1 KB ​ 47cee7   12 years FrederikHeber Writing out energy file with value and contribution per index set - …
AllLevelSummator.hpp 4.8 KB ​ dbd841   8 years FrederikHeber FIX: Fixed some missing includes in ..(Orthogonal)Summator.
AllLevelOrthogonalSummator.hpp 4.9 KB ​ dbd841   8 years FrederikHeber FIX: Fixed some missing includes in ..(Orthogonal)Summator.
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