ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

dead code removal

Browse Source
This commit is contained in:
Axel Kohlmeyer
2021-09-17 22:53:59 -04:00
parent a46b8688ea
commit 5a6c1abeed
6 changed files with 8 additions and 18 deletions
Download Patch File Download Diff File Expand all files Collapse all files

9
src/min.cpp
View File

@ -959,20 +959,19 @@ double Min::fnorm_max()
double Min::total_torque()
{
double fmsq,ftotsqone,ftotsqall;
double ftotsqone,ftotsqall;
int nlocal = atom->nlocal;
double hbar = force->hplanck/MY_2PI;
double tx,ty,tz;
double **sp = atom->sp;
double **fm = atom->fm;
fmsq = ftotsqone = ftotsqall = 0.0;
ftotsqone = ftotsqall = 0.0;
for (int i = 0; i < nlocal; i++) {
tx = fm[i][1]*sp[i][2] - fm[i][2]*sp[i][1];
ty = fm[i][2]*sp[i][0] - fm[i][0]*sp[i][2];
tz = fm[i][0]*sp[i][1] - fm[i][1]*sp[i][0];
fmsq = tx*tx + ty*ty + tz*tz;
ftotsqone += fmsq;
ftotsqone += tx*tx + ty*ty + tz*tz;
}
// summing all fmsqtot on this replica
@ -1030,7 +1029,7 @@ double Min::max_torque()
double **sp = atom->sp;
double **fm = atom->fm;
fmsq = fmaxsqone = fmaxsqall = 0.0;
fmaxsqone = fmaxsqall = 0.0;
for (int i = 0; i < nlocal; i++) {
tx = fm[i][1]*sp[i][2] - fm[i][2]*sp[i][1];
ty = fm[i][2]*sp[i][0] - fm[i][0]*sp[i][2];