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../
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Containers
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9eb71b3
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8 years
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frederik.heber |
Commented out MemDebug include and Memory::ignore.
- MemDebug clashes …
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Converter
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6829d2
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8 years
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FrederikHeber |
MPQCData additionally stores the atomic number per nuclei.
- in case …
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SetValues
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9eb71b3
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8 years
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frederik.heber |
Commented out MemDebug include and Memory::ignore.
- MemDebug clashes …
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unittests
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748fc7
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10 years
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FrederikHeber |
libMolecuilder is now a shared library.
- linking error …
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AllLevelOrthogonalSummator.hpp
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4.9 KB
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da098d2
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8 years
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FrederikHeber |
..Summators and AllLevel..Summators pass through ZeroInstance, added …
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AllLevelSummator.hpp
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4.8 KB
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da098d2
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8 years
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FrederikHeber |
..Summators and AllLevel..Summators pass through ZeroInstance, added …
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HeaderPrinter.hpp
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1.1 KB
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47cee7
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11 years
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FrederikHeber |
Writing out energy file with value and contribution per index set
- …
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IndexSet.cpp
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3.7 KB
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9eb71b3
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8 years
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frederik.heber |
Commented out MemDebug include and Memory::ignore.
- MemDebug clashes …
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IndexSet.hpp
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2.0 KB
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dde50d
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8 years
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frederik.heber |
FIX: boost::serialization 1.58 introduced changes which breaks …
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IndexSetContainer.cpp
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4.7 KB
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9eb71b3
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8 years
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frederik.heber |
Commented out MemDebug include and Memory::ignore.
- MemDebug clashes …
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IndexSetContainer.hpp
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3.9 KB
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781408
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12 years
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FrederikHeber |
FIX: Added inline comparators for IndexSet::ptr, fixed …
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Makefile.am
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4.0 KB
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0ee9cb3
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8 years
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FrederikHeber |
FIX: Removed multiple instances of libmolecuilder_config.h in …
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OrthogonalSummation.hpp
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2.4 KB
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ff7ac6
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8 years
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FrederikHeber |
BREAKS: Summation and OrthogonalSummation both now allow to set a …
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OrthogonalSummation_impl.hpp
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2.6 KB
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3d444a
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8 years
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FrederikHeber |
(Orthogonal)Summation's Sum() can be further simplified now.
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OrthogonalSummator.hpp
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7.3 KB
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da098d2
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8 years
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FrederikHeber |
..Summators and AllLevel..Summators pass through ZeroInstance, added …
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OrthogonalSumUpPerLevel.hpp
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3.3 KB
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409a05
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8 years
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FrederikHeber |
..SumUpPerLevel are now functors that allow to set the zero instance …
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printKeyNames.hpp
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732 bytes
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1f66c7
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12 years
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FrederikHeber |
Renamed and extracted namespace FusionKeyNames -> printKeyNames.
- …
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SetValue.hpp
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4.4 KB
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58952a
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11 years
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FrederikHeber |
SetValue treats ZeroInstance as value special.
- ZeroInstance in …
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SetValueMap.hpp
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3.5 KB
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07266b
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12 years
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FrederikHeber |
Added SetValueMap::getConstValue() for getting const reference to SetValue.
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SortedVector.hpp
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4.3 KB
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19c50e
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12 years
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FrederikHeber |
IndexSetContainer now treats super set specially.
- The super set …
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SubsetMap.cpp
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7.6 KB
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9eb71b3
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8 years
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frederik.heber |
Commented out MemDebug include and Memory::ignore.
- MemDebug clashes …
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SubsetMap.hpp
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3.5 KB
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19c50e
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12 years
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FrederikHeber |
IndexSetContainer now treats super set specially.
- The super set …
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Summation.hpp
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2.3 KB
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ff7ac6
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8 years
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FrederikHeber |
BREAKS: Summation and OrthogonalSummation both now allow to set a …
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Summation_impl.hpp
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2.5 KB
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3d444a
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8 years
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FrederikHeber |
(Orthogonal)Summation's Sum() can be further simplified now.
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Summator.hpp
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7.1 KB
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da098d2
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8 years
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FrederikHeber |
..Summators and AllLevel..Summators pass through ZeroInstance, added …
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SumUpPerLevel.hpp
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2.9 KB
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409a05
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8 years
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FrederikHeber |
..SumUpPerLevel are now functors that allow to set the zero instance …
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ValuePrinter.hpp
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1.3 KB
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47cee7
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11 years
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FrederikHeber |
Writing out energy file with value and contribution per index set
- …
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writeIndexedTable.hpp
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2.8 KB
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c8d13f5
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11 years
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FrederikHeber |
Summed up results are now handed-over to FragmentationResultContainer …
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writeTable.hpp
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1.7 KB
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47cee7
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11 years
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FrederikHeber |
Writing out energy file with value and contribution per index set
- …
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ZeroInstance.hpp
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854 bytes
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58952a
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11 years
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FrederikHeber |
SetValue treats ZeroInstance as value special.
- ZeroInstance in …
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ZeroInstanceInitializer.hpp
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1.4 KB
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da098d2
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8 years
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FrederikHeber |
..Summators and AllLevel..Summators pass through ZeroInstance, added …
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