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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7262 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2011-12-01 15:47:17 +00:00
parent 8f728e4823
commit ba728e5e07
17 changed files with 115 additions and 85 deletions
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3
src/KSPACE/pppm_tip4p.cpp
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@ -19,6 +19,7 @@
#include "pppm_tip4p.h"
#include "atom.h"
#include "domain.h"
#include "force.h"
#include "memory.h"
#include "error.h"
@ -205,7 +206,7 @@ void PPPMTIP4P::fieldforce()
}
// convert E-field to force
const double qfactor = qqrd2e*scale*q[i];
const double qfactor = force->qqrd2e * scale * q[i];
if (type[i] != typeO) {
f[i][0] += qfactor*ekx;
f[i][1] += qfactor*eky;