Changeset f5d635

Timestamp:

Oct 8, 2016, 7:25:46 PM (9 years ago)

Author:

Frederik Heber <heber@…>

Branches:

Add_FitFragmentPartialChargesAction, Fix_ChargeSampling_PBC, Fix_FitPartialCharges

Children:

9cf1e2

Parents:

bd8b57

git-author:

Frederik Heber <heber@…> (06/12/16 16:50:07)

git-committer:

Frederik Heber <heber@…> (10/08/16 19:25:46)

Message:

Added IndexedPartialCharges.

Location:

src/Fragmentation/Summation

Files:

• Containers/Makefile.am (modified) (1 diff)
• Containers/PartialChargesFused.hpp (added)
• Containers/PartialChargesMap.hpp (added)
• SetValues/IndexedPartialCharges.cpp (added)
• SetValues/IndexedPartialCharges.hpp (added)
• SetValues/Makefile.am (modified) (2 diffs)

src/Fragmentation/Summation/Containers/Makefile.am

@@ -34 +34 @@
         Fragmentation/Summation/Containers/FragmentationLongRangeResults.hpp \
         Fragmentation/Summation/Containers/GridDownsampler.hpp \
+        Fragmentation/Summation/Containers/PartialChargesFused.hpp \
+        Fragmentation/Summation/Containers/PartialChargesMap.hpp \
         Fragmentation/Summation/Containers/VMGData.hpp \
         Fragmentation/Summation/Containers/VMGDataFused.hpp \

src/Fragmentation/Summation/SetValues/Makefile.am

@@ -8 +8 @@
         Fragmentation/Summation/SetValues/FragmentForces.cpp \
         Fragmentation/Summation/SetValues/Histogram.cpp \
+        Fragmentation/Summation/SetValues/IndexedPartialCharges.cpp \
         Fragmentation/Summation/SetValues/IndexedVectors.cpp \
         Fragmentation/Summation/SetValues/SamplingGrid.cpp \
@@ -18 +19 @@
         Fragmentation/Summation/SetValues/FragmentForces.hpp \
         Fragmentation/Summation/SetValues/Histogram.hpp \
+        Fragmentation/Summation/SetValues/IndexedPartialCharges.hpp \
         Fragmentation/Summation/SetValues/IndexedValue.hpp \
         Fragmentation/Summation/SetValues/IndexedValue_impl.hpp \