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correct cut-n-paste error, add docs

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This commit is contained in:
Axel Kohlmeyer
2017-09-15 00:51:16 -04:00
parent 8776b81033
commit 2cd7cbd964
2 changed files with 18 additions and 9 deletions
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22
src/fix_addforce.cpp
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@ -298,6 +298,7 @@ void FixAddForce::post_force(int vflag)
v[4] = xvalue * unwrap[2];
v[5] = yvalue * unwrap[2];
v_tally(i,v);
}
}
// variable force, wrap with clear/add
@ -323,7 +324,7 @@ void FixAddForce::post_force(int vflag)
modify->addstep_compute(update->ntimestep + 1);
for (int i = 0; i < nlocal; i++)
for (int i = 0; i < nlocal; i++) {
if (mask[i] & groupbit) {
if (region && !region->match(x[i][0],x[i][1],x[i][2])) continue;
domain->unmap(x[i],image[i],unwrap);
@ -331,8 +332,9 @@ void FixAddForce::post_force(int vflag)
if (ystyle == ATOM) yvalue = sforce[i][1];
if (zstyle == ATOM) zvalue = sforce[i][2];
if (estyle == ATOM) foriginal[0] += sforce[i][3];
else {
if (estyle == ATOM) {
foriginal[0] += sforce[i][3];
} else {
if (xstyle) foriginal[0] -= xvalue*unwrap[0];
if (ystyle) foriginal[0] -= yvalue*unwrap[1];
if (zstyle) foriginal[0] -= zvalue*unwrap[2];
@ -340,19 +342,21 @@ void FixAddForce::post_force(int vflag)
foriginal[1] += f[i][0];
foriginal[2] += f[i][1];
foriginal[3] += f[i][2];
if (xstyle) f[i][0] += xvalue;
if (ystyle) f[i][1] += yvalue;
if (zstyle) f[i][2] += zvalue;
if (evflag) {
v[0] = xstyle ? fx*unwrap[0] : 0.0;
v[1] = ystyle ? fy*unwrap[1] : 0.0;
v[2] = zstyle ? fz*unwrap[2] : 0.0;
v[3] = xstyle ? fx*unwrap[1] : 0.0;
v[4] = xstyle ? fx*unwrap[2] : 0.0;
v[5] = ystyle ? fy*unwrap[2] : 0.0;
v[0] = xstyle ? xvalue*unwrap[0] : 0.0;
v[1] = ystyle ? yvalue*unwrap[1] : 0.0;
v[2] = zstyle ? zvalue*unwrap[2] : 0.0;
v[3] = xstyle ? xvalue*unwrap[1] : 0.0;
v[4] = xstyle ? xvalue*unwrap[2] : 0.0;
v[5] = ystyle ? yvalue*unwrap[2] : 0.0;
v_tally(i, v);
}
}
}
}
}