remove trailing whitespace
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20
src/set.cpp
20
src/set.cpp
@ -525,7 +525,7 @@ void Set::command(int narg, char **arg)
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if (comm->me == 0) {
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if (screen) {
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if (strcmp(arg[origarg],"cc") == 0)
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if (strcmp(arg[origarg],"cc") == 0)
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fprintf(screen," %d settings made for %s index %s\n",
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allcount,arg[origarg],arg[origarg+1]);
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else
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@ -533,7 +533,7 @@ void Set::command(int narg, char **arg)
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allcount,arg[origarg]);
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}
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if (logfile) {
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if (strcmp(arg[origarg],"cc") == 0)
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if (strcmp(arg[origarg],"cc") == 0)
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fprintf(logfile," %d settings made for %s index %s\n",
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allcount,arg[origarg],arg[origarg+1]);
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else
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@ -724,7 +724,7 @@ void Set::set(int keyword)
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else if (keyword == EDPD_CV) atom->edpd_cv[i] = dvalue;
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else if (keyword == CC) atom->cc[i][cc_index-1] = dvalue;
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else if (keyword == SMD_MASS_DENSITY) {
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else if (keyword == SMD_MASS_DENSITY) {
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// set mass from volume and supplied mass density
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atom->rmass[i] = atom->vfrac[i] * dvalue;
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}
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@ -780,18 +780,18 @@ void Set::set(int keyword)
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else if (keyword == DENSITY) {
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if (dvalue <= 0.0) error->one(FLERR,"Invalid density in set command");
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if (atom->radius_flag && atom->radius[i] > 0.0)
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if (discflag)
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if (discflag)
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atom->rmass[i] = MY_PI*atom->radius[i]*atom->radius[i] * dvalue;
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else
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atom->rmass[i] = 4.0*MY_PI/3.0 *
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else
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atom->rmass[i] = 4.0*MY_PI/3.0 *
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atom->radius[i]*atom->radius[i]*atom->radius[i] * dvalue;
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else if (atom->ellipsoid_flag && atom->ellipsoid[i] >= 0) {
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double *shape = avec_ellipsoid->bonus[atom->ellipsoid[i]].shape;
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// enable 2d ellipse (versus 3d ellipsoid) when time integration
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// options (fix nve/asphere, fix nh/asphere) are also implemented
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// if (discflag)
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// if (discflag)
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// atom->rmass[i] = MY_PI*shape[0]*shape[1] * dvalue;
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// else
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// else
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atom->rmass[i] = 4.0*MY_PI/3.0 * shape[0]*shape[1]*shape[2] * dvalue;
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} else if (atom->line_flag && atom->line[i] >= 0) {
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double length = avec_line->bonus[atom->line[i]].length;
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@ -823,7 +823,7 @@ void Set::set(int keyword)
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// set quaternion orientation of ellipsoid or tri or body particle
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// enforce quat rotation vector in z dir for 2d systems
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else if (keyword == QUAT) {
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double *quat;
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if (avec_ellipsoid && atom->ellipsoid[i] >= 0)
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@ -837,7 +837,7 @@ void Set::set(int keyword)
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if (domain->dimension == 2 && (xvalue != 0.0 || yvalue != 0.0))
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error->one(FLERR,"Cannot set quaternion with xy components "
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"for 2d system");
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double theta2 = MY_PI2 * wvalue/180.0;
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double sintheta2 = sin(theta2);
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quat[0] = cos(theta2);
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