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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10160 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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This commit is contained in:
sjplimp
2013-06-28 19:00:58 +00:00
parent fcc992d386
commit aa33af4032
94 changed files with 638 additions and 590 deletions
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36
src/velocity.cpp
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@ -100,8 +100,8 @@ void Velocity::command(int narg, char **arg)
// create() invoked differently, so can be called externally
if (style == CREATE) {
double t_desired = atof(arg[2]);
int seed = atoi(arg[3]);
double t_desired = force->numeric(FLERR,arg[2]);
int seed = force->inumeric(FLERR,arg[3]);
create(t_desired,seed);
}
else if (style == SET) set(narg-2,&arg[2]);
@ -357,21 +357,21 @@ void Velocity::set(int narg, char **arg)
xstr = new char[n];
strcpy(xstr,&arg[0][2]);
} else if (strcmp(arg[0],"NULL") == 0) xstyle = NONE;
else vx = atof(arg[0]);
else vx = force->numeric(FLERR,arg[0]);
if (strstr(arg[1],"v_") == arg[1]) {
int n = strlen(&arg[1][2]) + 1;
ystr = new char[n];
strcpy(ystr,&arg[1][2]);
} else if (strcmp(arg[1],"NULL") == 0) ystyle = NONE;
else vy = atof(arg[1]);
else vy = force->numeric(FLERR,arg[1]);
if (strstr(arg[2],"v_") == arg[2]) {
int n = strlen(&arg[2][2]) + 1;
zstr = new char[n];
strcpy(zstr,&arg[2][2]);
} else if (strcmp(arg[2],"NULL") == 0) zstyle = NONE;
else vz = atof(arg[2]);
else vz = force->numeric(FLERR,arg[2]);
// set and apply scale factors
@ -505,7 +505,7 @@ void Velocity::set(int narg, char **arg)
void Velocity::scale(int narg, char **arg)
{
double t_desired = atof(arg[0]);
double t_desired = force->numeric(FLERR,arg[0]);
// if temperature = NULL, create a new ComputeTemp with the velocity group
@ -566,14 +566,14 @@ void Velocity::ramp(int narg, char **arg)
double v_lo,v_hi;
if (v_dim == 0) {
v_lo = xscale*atof(arg[1]);
v_hi = xscale*atof(arg[2]);
v_lo = xscale*force->numeric(FLERR,arg[1]);
v_hi = xscale*force->numeric(FLERR,arg[2]);
} else if (v_dim == 1) {
v_lo = yscale*atof(arg[1]);
v_hi = yscale*atof(arg[2]);
v_lo = yscale*force->numeric(FLERR,arg[1]);
v_hi = yscale*force->numeric(FLERR,arg[2]);
} else if (v_dim == 2) {
v_lo = zscale*atof(arg[1]);
v_hi = zscale*atof(arg[2]);
v_lo = zscale*force->numeric(FLERR,arg[1]);
v_hi = zscale*force->numeric(FLERR,arg[2]);
}
int coord_dim;
@ -584,14 +584,14 @@ void Velocity::ramp(int narg, char **arg)
double coord_lo,coord_hi;
if (coord_dim == 0) {
coord_lo = xscale*atof(arg[4]);
coord_hi = xscale*atof(arg[5]);
coord_lo = xscale*force->numeric(FLERR,arg[4]);
coord_hi = xscale*force->numeric(FLERR,arg[5]);
} else if (coord_dim == 1) {
coord_lo = yscale*atof(arg[4]);
coord_hi = yscale*atof(arg[5]);
coord_lo = yscale*force->numeric(FLERR,arg[4]);
coord_hi = yscale*force->numeric(FLERR,arg[5]);
} else if (coord_dim == 2) {
coord_lo = zscale*atof(arg[4]);
coord_hi = zscale*atof(arg[5]);
coord_lo = zscale*force->numeric(FLERR,arg[4]);
coord_hi = zscale*force->numeric(FLERR,arg[5]);
}
// vramp = ramped velocity component for v_dim