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9eeb97b0

Commit 9eeb97b0 authored 7 years ago by sjplimp Committed by GitHub 7 years ago

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Merge pull request #544 from akohlmey/tip4p-triclinic

Correct handling of triclinic box support in pppm/tip4p and pppm/tip4p/omp

parents 883b7aaa 73b948dc

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src/KSPACE/pppm.cpp 4 additions, 0 deletions

src/KSPACE/pppm.cpp
src/KSPACE/pppm_tip4p.cpp 85 additions, 48 deletions

src/KSPACE/pppm_tip4p.cpp
src/KSPACE/pppm_tip4p.h 0 additions, 1 deletion

src/KSPACE/pppm_tip4p.h
src/USER-OMP/pppm_tip4p_omp.cpp 94 additions, 14 deletions

src/USER-OMP/pppm_tip4p_omp.cpp

with 183 additions and 63 deletions

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