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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5005 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2010-10-07 20:46:51 +00:00
parent 025431ec02
commit 79cbe1d302
2 changed files with 5 additions and 5 deletions
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6
src/USER-EWALDN/pair_buck_coul.cpp
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@ -615,7 +615,7 @@ void PairBuckCoul::compute_inner()
i = *ineigh; fi = f0+3*i; i = *ineigh; fi = f0+3*i;
qri = qqrd2e*q[i]; qri = qqrd2e*q[i];
memcpy(xi, x0+(i+(i<<1)), sizeof(vector)); memcpy(xi, x0+(i+(i<<1)), sizeof(vector));
cut_bucksqi = cut_bucksq[typei]; cut_bucksqi = cut_bucksq[typei = type[i]];
buck1i = buck1[typei]; buck2i = buck2[typei]; rhoinvi = rhoinv[typei]; buck1i = buck1[typei]; buck2i = buck2[typei]; rhoinvi = rhoinv[typei];
jneighn = (jneigh = listinner->firstneigh[i])+listinner->numneigh[i]; jneighn = (jneigh = listinner->firstneigh[i])+listinner->numneigh[i];
@ -630,7 +630,7 @@ void PairBuckCoul::compute_inner()
if ((rsq = vec_dot(d, d)) >= cut_out_off_sq) continue; if ((rsq = vec_dot(d, d)) >= cut_out_off_sq) continue;
r2inv = 1.0/rsq; r2inv = 1.0/rsq;
r = sqrt(r); r = sqrt(rsq);
if (order1 && (rsq < cut_coulsq)) // coulombic if (order1 && (rsq < cut_coulsq)) // coulombic
force_coul = ni<0 ? force_coul = ni<0 ?
@ -705,7 +705,7 @@ void PairBuckCoul::compute_middle()
i = *ineigh; fi = f0+3*i; i = *ineigh; fi = f0+3*i;
qri = qqrd2e*q[i]; qri = qqrd2e*q[i];
memcpy(xi, x0+(i+(i<<1)), sizeof(vector)); memcpy(xi, x0+(i+(i<<1)), sizeof(vector));
cut_bucksqi = cut_bucksq[typei]; cut_bucksqi = cut_bucksq[typei = type[i]];
buck1i = buck1[typei]; buck2i = buck2[typei]; rhoinvi = rhoinv[typei]; buck1i = buck1[typei]; buck2i = buck2[typei]; rhoinvi = rhoinv[typei];
jneighn = (jneigh = listmiddle->firstneigh[i])+listmiddle->numneigh[i]; jneighn = (jneigh = listmiddle->firstneigh[i])+listmiddle->numneigh[i];

4
src/USER-EWALDN/pair_lj_coul.cpp
View File

@ -616,7 +616,7 @@ void PairLJCoul::compute_inner()
i = *ineigh; fi = f0+3*i; i = *ineigh; fi = f0+3*i;
qri = qqrd2e*q[i]; qri = qqrd2e*q[i];
memcpy(xi, x0+(i+(i<<1)), sizeof(vector)); memcpy(xi, x0+(i+(i<<1)), sizeof(vector));
cut_ljsqi = cut_ljsq[typei]; cut_ljsqi = cut_ljsq[typei = type[i]];
lj1i = lj1[typei]; lj2i = lj2[typei]; lj1i = lj1[typei]; lj2i = lj2[typei];
jneighn = (jneigh = list->firstneigh[i])+list->numneigh[i]; jneighn = (jneigh = list->firstneigh[i])+list->numneigh[i];
@ -704,7 +704,7 @@ void PairLJCoul::compute_middle()
i = *ineigh; fi = f0+3*i; i = *ineigh; fi = f0+3*i;
qri = qqrd2e*q[i]; qri = qqrd2e*q[i];
memcpy(xi, x0+(i+(i<<1)), sizeof(vector)); memcpy(xi, x0+(i+(i<<1)), sizeof(vector));
cut_ljsqi = cut_ljsq[typei]; cut_ljsqi = cut_ljsq[typei = type[i]];
lj1i = lj1[typei]; lj2i = lj2[typei]; lj1i = lj1[typei]; lj2i = lj2[typei];
jneighn = (jneigh = list->firstneigh[i])+list->numneigh[i]; jneighn = (jneigh = list->firstneigh[i])+list->numneigh[i];