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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7713 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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pscrozi 2012-02-06 19:18:46 +00:00
parent 75990ce095
commit 3844c08c56
1 changed files with 1 additions and 1 deletions
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src/KSPACE/pppm.cpp
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@ -874,7 +874,7 @@ void PPPM::set_grid()
acons[7][5] = 1755948832039.0 / 36229939200000.0;
acons[7][6] = 4887769399.0 / 37838389248.0;
double q2 = qsqsum / force->dielectric;
double q2 = qsqsum * force->qqrd2e / force->dielectric;
bigint natoms = atom->natoms;
// use xprd,yprd,zprd even if triclinic so grid size is the same