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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2993 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2009-07-14 13:50:43 +00:00
parent ccf5fd7930
commit aab0991c4c
1 changed files with 5 additions and 5 deletions
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10
src/velocity.cpp
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@ -175,10 +175,10 @@ void Velocity::create(int narg, char **arg)
// adjust by factor for atom mass // adjust by factor for atom mass
// for 2d, set Vz to 0.0 // for 2d, set Vz to 0.0
double *rmass = atom->rmass;
double *mass = atom->mass;
int *type = atom->type; int *type = atom->type;
int *mask = atom->mask; int *mask = atom->mask;
double *mass = atom->mass;
double *rmass = atom->rmass;
int dimension = domain->dimension; int dimension = domain->dimension;
int m; int m;
@ -226,7 +226,7 @@ void Velocity::create(int narg, char **arg)
if (m >= 0 && m < nlocal) { if (m >= 0 && m < nlocal) {
if (mask[m] & groupbit) { if (mask[m] & groupbit) {
if (rmass) factor = 1.0/sqrt(rmass[m]); if (rmass) factor = 1.0/sqrt(rmass[m]);
factor = 1.0/sqrt(mass[type[m]]); else factor = 1.0/sqrt(mass[type[m]]);
v[m][0] = vx * factor; v[m][0] = vx * factor;
v[m][1] = vy * factor; v[m][1] = vy * factor;
if (dimension == 3) v[m][2] = vz * factor; if (dimension == 3) v[m][2] = vz * factor;
@ -258,7 +258,7 @@ void Velocity::create(int narg, char **arg)
vz = random->gaussian(); vz = random->gaussian();
} }
if (rmass) factor = 1.0/sqrt(rmass[i]); if (rmass) factor = 1.0/sqrt(rmass[i]);
factor = 1.0/sqrt(mass[type[i]]); else factor = 1.0/sqrt(mass[type[i]]);
v[i][0] = vx * factor; v[i][0] = vx * factor;
v[i][1] = vy * factor; v[i][1] = vy * factor;
if (dimension == 3) v[i][2] = vz * factor; if (dimension == 3) v[i][2] = vz * factor;
@ -284,7 +284,7 @@ void Velocity::create(int narg, char **arg)
} }
if (rmass) factor = 1.0/sqrt(rmass[i]); if (rmass) factor = 1.0/sqrt(rmass[i]);
factor = 1.0/sqrt(mass[type[i]]); else factor = 1.0/sqrt(mass[type[i]]);
v[i][0] = vx * factor; v[i][0] = vx * factor;
v[i][1] = vy * factor; v[i][1] = vy * factor;
if (dimension == 3) v[i][2] = vz * factor; if (dimension == 3) v[i][2] = vz * factor;