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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11756 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2014-04-09 16:50:23 +00:00
parent 5e3ff6cffd
commit c0fbdbefaa
14 changed files with 107 additions and 170 deletions
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5
src/KSPACE/pppm_tip4p.cpp
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@ -223,7 +223,7 @@ void PPPMTIP4P::fieldforce_ik()
// convert E-field to force
const double qfactor = force->qqrd2e * scale * q[i];
const double qfactor = qqrd2e * scale * q[i];
if (type[i] != typeO) {
f[i][0] += qfactor*ekx;
f[i][1] += qfactor*eky;
@ -326,7 +326,8 @@ void PPPMTIP4P::fieldforce_ad()
ekz *= hz_inv;
// convert E-field to force and substract self forces
const double qfactor = force->qqrd2e * scale;
const double qfactor = qqrd2e * scale;
s1 = x[i][0]*hx_inv;
s2 = x[i][1]*hy_inv;