source: src/Fragmentation/Summation/SetValues@ f5d635

Add_FitFragmentPartialChargesAction Fix_ChargeSampling_PBC Fix_FitPartialCharges
Name Size Rev Age Author Last Change
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unittests bd8b57   9 years FrederikHeber Extracted IndexedValue from IndexedVectors. - we may now sum up …
SamplingGridProperties_inline.hpp 1.3 KB 9782343   9 years FrederikHeber FIX: Made getGridPointsPerAxis() not use pow() in every call.
SamplingGridProperties.hpp 5.3 KB cb30d9   9 years FrederikHeber Extended SamplingGridProperties::isCompatible() to allow more finely …
SamplingGridProperties.cpp 6.1 KB cb30d9   9 years FrederikHeber Extended SamplingGridProperties::isCompatible() to allow more finely …
SamplingGrid_inline.hpp 1.5 KB c1948c   9 years FrederikHeber Added getDiscreteWindowIndices() and getDiscreteWindowLengthPerAxis() …
SamplingGrid.hpp 14.6 KB d56e21   9 years FrederikHeber Added padWithZerosForEvenNumberedSamples(), required by downsample(). …
SamplingGrid.cpp 36.6 KB 1640be   9 years FrederikHeber tempcommit: Merge with ad6485c8
Makefile.am 4.2 KB f5d635   9 years FrederikHeber Added IndexedPartialCharges.
IndexedVectors.hpp 1.2 KB bd8b57   9 years FrederikHeber Extracted IndexedValue from IndexedVectors. - we may now sum up …
IndexedVectors.cpp 1.3 KB bd8b57   9 years FrederikHeber Extracted IndexedValue from IndexedVectors. - we may now sum up …
IndexedValue_impl.hpp 3.0 KB bd8b57   9 years FrederikHeber Extracted IndexedValue from IndexedVectors. - we may now sum up …
IndexedValue.hpp 3.9 KB bd8b57   9 years FrederikHeber Extracted IndexedValue from IndexedVectors. - we may now sum up …
IndexedPartialCharges.hpp 2.6 KB f5d635   9 years FrederikHeber Added IndexedPartialCharges.
IndexedPartialCharges.cpp 1.5 KB f5d635   9 years FrederikHeber Added IndexedPartialCharges.
Histogram.hpp 6.4 KB 955051   12 years FrederikHeber Added (in)equality operators to all SetValues. - only Fragment and …
Histogram.cpp 11.8 KB f856ec   9 years FrederikHeber Histogram uses copy instead of superposeOtherHistogram() when instance …
FragmentForces.hpp 1.8 KB 291ad9   9 years FrederikHeber Added operator+=() to FragmentForces and unit test. - FIX: …
FragmentForces.cpp 3.2 KB 291ad9   9 years FrederikHeber Added operator+=() to FragmentForces and unit test. - FIX: …
Fragment.hpp 4.1 KB fbf143   13 years FrederikHeber Placed Containers, Converter, and SetValues as subfolders into …
Fragment.cpp 5.4 KB a2a2f7   12 years FrederikHeber Huge warning fix. - fixed unused variables. - fixed set but unused …
Eigenvalues.hpp 2.5 KB 955051   12 years FrederikHeber Added (in)equality operators to all SetValues. - only Fragment and …
Eigenvalues.cpp 3.6 KB 955051   12 years FrederikHeber Added (in)equality operators to all SetValues. - only Fragment and …
detail.hpp 2.3 KB bd8b57   9 years FrederikHeber Extracted IndexedValue from IndexedVectors. - we may now sum up …
detail.cpp 3.3 KB bd8b57   9 years FrederikHeber Extracted IndexedValue from IndexedVectors. - we may now sum up …
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