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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2274 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2008-12-03 21:26:29 +00:00
parent 30d71181ce
commit 117c65f3ce
1 changed files with 11 additions and 14 deletions
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25
src/fix_spring.cpp
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@ -28,8 +28,7 @@
using namespace LAMMPS_NS; using namespace LAMMPS_NS;
#define TETHER 0 enum{TETHER,COUPLE};
#define COUPLE 1
/* ---------------------------------------------------------------------- */ /* ---------------------------------------------------------------------- */
@ -157,9 +156,6 @@ void FixSpring::spring_tether()
double *mass = atom->mass; double *mass = atom->mass;
int nlocal = atom->nlocal; int nlocal = atom->nlocal;
ftotal[0] = ftotal[1] = ftotal[2] = 0.0;
force_flag = 0;
double massfrac; double massfrac;
for (int i = 0; i < nlocal; i++) for (int i = 0; i < nlocal; i++)
if (mask[i] & groupbit) { if (mask[i] & groupbit) {
@ -167,10 +163,12 @@ void FixSpring::spring_tether()
f[i][0] -= fx*massfrac; f[i][0] -= fx*massfrac;
f[i][1] -= fy*massfrac; f[i][1] -= fy*massfrac;
f[i][2] -= fz*massfrac; f[i][2] -= fz*massfrac;
ftotal[0] -= fx*massfrac;
ftotal[1] -= fy*massfrac;
ftotal[2] -= fz*massfrac;
} }
ftotal[0] = -fx;
ftotal[1] = -fy;
ftotal[2] = -fz;
force_flag = 0;
} }
/* ---------------------------------------------------------------------- */ /* ---------------------------------------------------------------------- */
@ -207,9 +205,6 @@ void FixSpring::spring_couple()
double *mass = atom->mass; double *mass = atom->mass;
int nlocal = atom->nlocal; int nlocal = atom->nlocal;
ftotal[0] = ftotal[1] = ftotal[2] = 0.0;
force_flag = 0;
double massfrac; double massfrac;
for (int i = 0; i < nlocal; i++) { for (int i = 0; i < nlocal; i++) {
if (mask[i] & groupbit) { if (mask[i] & groupbit) {
@ -217,9 +212,6 @@ void FixSpring::spring_couple()
f[i][0] += fx*massfrac; f[i][0] += fx*massfrac;
f[i][1] += fy*massfrac; f[i][1] += fy*massfrac;
f[i][2] += fz*massfrac; f[i][2] += fz*massfrac;
ftotal[0] += fx*massfrac;
ftotal[1] += fy*massfrac;
ftotal[2] += fz*massfrac;
} }
if (mask[i] & group2bit) { if (mask[i] & group2bit) {
massfrac = mass[type[i]]/masstotal2; massfrac = mass[type[i]]/masstotal2;
@ -228,6 +220,11 @@ void FixSpring::spring_couple()
f[i][2] -= fz*massfrac; f[i][2] -= fz*massfrac;
} }
} }
ftotal[0] = -fx;
ftotal[1] = -fy;
ftotal[2] = -fz;
force_flag = 0;
} }
/* ---------------------------------------------------------------------- */ /* ---------------------------------------------------------------------- */