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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@149 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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This commit is contained in:
sjplimp
2006-11-13 22:17:52 +00:00
parent 458ec376dd
commit ecaf8734e1
13 changed files with 164 additions and 478 deletions
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11
src/velocity.cpp
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@ -20,6 +20,7 @@
#include "atom.h"
#include "update.h"
#include "domain.h"
#include "lattice.h"
#include "force.h"
#include "temperature.h"
#include "temp_full.h"
@ -96,13 +97,13 @@ void Velocity::command(int narg, char **arg)
// set scaling for SET and RAMP styles
if (style == SET || style == RAMP) {
if (scale_flag && strcmp(domain->lattice_style,"none") == 0)
if (scale_flag && domain->lattice == NULL)
error->all("Use of velocity with undefined lattice");
if (scale_flag) {
xscale = domain->xlattice;
yscale = domain->ylattice;
zscale = domain->zlattice;
xscale = domain->lattice->xlattice;
yscale = domain->lattice->ylattice;
zscale = domain->lattice->zlattice;
}
else xscale = yscale = zscale = 1.0;
}
@ -582,7 +583,7 @@ void Velocity::zero_rotation()
dy = (x[i][1] + ybox*yprd) - xcm[1];
dz = (x[i][2] + zbox*zprd) - xcm[2];
v[i][0] -= omega[1]*dz - omega[2]*dy;
v[i][1] -= omega[2]*dx - omega[0]*dz;
v[i][1] -= omega[2]*dx - omega[0]*dy;
v[i][2] -= omega[0]*dy - omega[1]*dx;
}
}