make certain that variables are initialized before used
This commit is contained in:
Axel Kohlmeyer
74
src/set.cpp
74
src/set.cpp
@ -1161,7 +1161,7 @@ void Set::invoke_cc(Action *action)
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// NOTE: need to check if cc_index exceeds cc array allocation
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int varflag = action->varflag;
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double ccvalue;
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double ccvalue = 0.0;
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if (!action->varflag1) ccvalue = action->dvalue1;
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for (int i = 0; i < nlocal; i++) {
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@ -1198,7 +1198,7 @@ void Set::invoke_charge(Action *action)
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double *epsilon = atom->epsilon;
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int varflag = action->varflag;
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double qvalue;
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double qvalue = 0.0;
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if (!action->varflag1) qvalue = action->dvalue1;
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for (int i = 0; i < nlocal; i++) {
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@ -1255,7 +1255,7 @@ void Set::invoke_density(Action *action)
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auto avec_tri = dynamic_cast<AtomVecTri *>(atom->style_match("tri"));
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int varflag = action->varflag;
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double density;
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double density = 0.0;
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if (!action->varflag1) density = action->dvalue1;
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int discflag = action->ivalue1;
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@ -1330,7 +1330,7 @@ void Set::invoke_diameter(Action *action)
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double *radius = atom->radius;
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int varflag = action->varflag;
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double diam;
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double diam = 0.0;
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if (!action->varflag1) diam = action->dvalue1;
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for (int i = 0; i < nlocal; i++) {
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@ -1467,7 +1467,7 @@ void Set::invoke_dpd_theta(Action *action)
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double vx,vy,vz;
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int varflag = action->varflag;
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double theta;
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double theta = 0.0;
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if (!action->varflag1) theta = action->dvalue1;
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for (int i = 0; i < nlocal; i++) {
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@ -1515,7 +1515,7 @@ void Set::invoke_edpd_cv(Action *action)
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double *edpd_cv = atom->edpd_cv;
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int varflag = action->varflag;
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double cv;
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double cv = 0.0;
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if (!action->varflag1) cv = action->dvalue1;
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for (int i = 0; i < nlocal; i++) {
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@ -1552,7 +1552,7 @@ void Set::invoke_edpd_temp(Action *action)
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double *edpd_temp = atom->edpd_temp;
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int varflag = action->varflag;
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double temp;
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double temp = 0.0;
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if (!action->varflag1) temp = action->dvalue1;
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for (int i = 0; i < nlocal; i++) {
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@ -1592,7 +1592,7 @@ void Set::invoke_epsilon(Action *action)
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double *q_scaled = atom->q_scaled;
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int varflag = action->varflag;
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double eps;
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double eps = 1.0;
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if (!action->varflag1) eps = action->dvalue1;
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// assign local dielectric constant
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@ -1745,7 +1745,7 @@ void Set::invoke_length(Action *action)
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auto avec_line = dynamic_cast<AtomVecLine *>(atom->style_match("line"));
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int varflag = action->varflag;
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double length;
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double length = 0.0;
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if (!action->varflag1) length = action->dvalue1;
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for (int i = 0; i < nlocal; i++) {
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@ -1788,7 +1788,7 @@ void Set::invoke_mass(Action *action)
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double *rmass = atom->rmass;
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int varflag = action->varflag;
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double mass_one;
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double mass_one = 0.0;
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if (!action->varflag1) mass_one = action->dvalue1;
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for (int i = 0; i < nlocal; i++) {
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@ -1826,7 +1826,7 @@ void Set::invoke_mol(Action *action)
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tagint *molecule = atom->molecule;
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int varflag = action->varflag;
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tagint molID;
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tagint molID = 0;
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if (!action->varflag1) molID = action->tvalue1;
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for (int i = 0; i < nlocal; i++) {
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@ -1865,7 +1865,7 @@ void Set::invoke_omega(Action *action)
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double **omega = atom->omega;
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int varflag = action->varflag;
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double xvalue,yvalue,zvalue;
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double xvalue = 0.0, yvalue = 0.0, zvalue= 0.0;
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if (!action->varflag1) xvalue = action->dvalue1;
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if (!action->varflag2) yvalue = action->dvalue2;
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if (!action->varflag3) zvalue = action->dvalue3;
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@ -1928,8 +1928,7 @@ void Set::invoke_quat(Action *action)
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auto avec_body = dynamic_cast<AtomVecBody *>(atom->style_match("body"));
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int dimension = domain->dimension;
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double radians,sintheta;
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double *quat_one;
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double *quat_one = nullptr;
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int varflag = action->varflag;
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double xvalue = 0.0, yvalue = 0.0, zvalue = 0.0, theta = 0.0;
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@ -1961,8 +1960,8 @@ void Set::invoke_quat(Action *action)
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error->one(FLERR,"Cannot set quaternion with xy components for 2d system");
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}
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radians = MY_PI2 * theta/180.0;
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sintheta = sin(radians);
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double radians = MY_PI2 * theta/180.0;
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double sintheta = sin(radians);
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quat_one[0] = cos(radians);
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quat_one[1] = xvalue * sintheta;
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quat_one[2] = yvalue * sintheta;
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@ -2016,7 +2015,7 @@ void Set::invoke_radius_electron(Action *action)
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double *eradius = atom->eradius;
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int varflag = action->varflag;
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double radius;
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double radius = 0.0;
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if (!action->varflag1) radius = action->dvalue1;
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for (int i = 0; i < nlocal; i++) {
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@ -2102,7 +2101,7 @@ void Set::invoke_shape(Action *action)
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auto avec_ellipsoid = dynamic_cast<AtomVecEllipsoid *>(atom->style_match("ellipsoid"));
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int varflag = action->varflag;
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double xvalue,yvalue,zvalue;
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double xvalue = 0.0, yvalue = 0.0, zvalue = 0.0;
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if (!action->varflag1) xvalue = action->dvalue1;
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if (!action->varflag2) yvalue = action->dvalue2;
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if (!action->varflag3) zvalue = action->dvalue3;
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@ -2122,7 +2121,7 @@ void Set::invoke_shape(Action *action)
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if (xvalue == 0.0 || yvalue == 0.0 || zvalue == 0.0)
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error->one(FLERR,"Invalid shape in set command");
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avec_ellipsoid->set_shape(i,0.5*xvalue,0.5*yvalue,0.5*zvalue);
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avec_ellipsoid->set_shape(i, 0.5*xvalue, 0.5*yvalue, 0.5*zvalue);
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}
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// update global ellipsoid count
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@ -2154,7 +2153,7 @@ void Set::invoke_smd_contact_radius(Action *action)
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double *contact_radius = atom->contact_radius;
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int varflag = action->varflag;
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double radius;
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double radius = 0.0;
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if (!action->varflag1) radius = action->dvalue1;
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@ -2194,7 +2193,7 @@ void Set::invoke_smd_mass_density(Action *action)
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double *vfrac = atom->vfrac;
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int varflag = action->varflag;
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double density;
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double density = 0.0;
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if (!action->varflag1) density = action->dvalue1;
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for (int i = 0; i < nlocal; i++) {
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@ -2229,7 +2228,7 @@ void Set::invoke_sph_cv(Action *action)
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double *cv = atom->cv;
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int varflag = action->varflag;
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double sph_cv;
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double sph_cv = 0.0;
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if (!action->varflag1) sph_cv = action->dvalue1;
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for (int i = 0; i < nlocal; i++) {
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@ -2259,7 +2258,7 @@ void Set::invoke_sph_e(Action *action)
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double *esph = atom->esph;
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int varflag = action->varflag;
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double sph_e;
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double sph_e = 0.0;
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if (!action->varflag1) sph_e = action->dvalue1;
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for (int i = 0; i < nlocal; i++) {
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@ -2289,7 +2288,7 @@ void Set::invoke_sph_rho(Action *action)
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double *rho = atom->rho;
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int varflag = action->varflag;
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double sph_rho;
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double sph_rho = 0.0;
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if (!action->varflag1) sph_rho = action->dvalue1;
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for (int i = 0; i < nlocal; i++) {
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@ -2412,7 +2411,7 @@ void Set::invoke_spin_electron(Action *action)
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{
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int nlocal = atom->nlocal;
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int varflag = action->varflag;
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int ispin;
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int ispin = -1;
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if (!action->varflag1) ispin = action->ivalue1;
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for (int i = 0; i < nlocal; i++) {
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@ -2451,7 +2450,7 @@ void Set::invoke_temperature(Action *action)
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double *temperature = atom->temperature;
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int varflag = action->varflag;
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double temp;
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double temp = 0.0;
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if (!action->varflag1) temp = action->dvalue1;
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for (int i = 0; i < nlocal; i++) {
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@ -2488,7 +2487,7 @@ void Set::invoke_theta(Action *action)
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auto avec_line = dynamic_cast<AtomVecLine *>(atom->style_match("line"));
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int varflag = action->varflag;
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double theta;
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double theta = 0.0;
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if (!action->varflag1) theta = action->dvalue1;
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for (int i = 0; i < nlocal; i++) {
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@ -2541,16 +2540,11 @@ void Set::invoke_tri(Action *action)
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auto avec_tri = dynamic_cast<AtomVecTri *>(atom->style_match("tri"));
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int varflag = action->varflag;
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double trisize;
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double trisize = 0.0;
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if (!action->varflag1) trisize = action->dvalue1;
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for (int i = 0; i < nlocal; i++) {
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if (!select[i]) continue;
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#if 0
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// AK: this seems wrong. Isn't the set command supposed *make* this a triangle?
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if (tri[i] < 0) error->one(FLERR,"Cannot set tri for atom which is not a triangle");
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#endif
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if (varflag) {
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trisize = vec1[i];
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if (trisize < 0.0) error->one(FLERR,"Invalid tri size in set command");
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@ -2718,7 +2712,7 @@ void Set::invoke_volume(Action *action)
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double *vfrac = atom->vfrac;
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int varflag = action->varflag;
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double vol;
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double vol = 0.0;
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if (!action->varflag1) vol = action->dvalue1;
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for (int i = 0; i < nlocal; i++) {
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@ -2751,7 +2745,7 @@ void Set::invoke_vx(Action *action)
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double **v = atom->v;
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int varflag = action->varflag;
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double vx;
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double vx = 0.0;
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if (!action->varflag1) vx = action->dvalue1;
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for (int i = 0; i < nlocal; i++) {
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@ -2779,7 +2773,7 @@ void Set::invoke_vy(Action *action)
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double **v = atom->v;
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int varflag = action->varflag;
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double vy;
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double vy = 0.0;
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if (!action->varflag1) vy = action->dvalue1;
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for (int i = 0; i < nlocal; i++) {
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@ -2807,7 +2801,7 @@ void Set::invoke_vz(Action *action)
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double **v = atom->v;
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int varflag = action->varflag;
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double vz;
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double vz = 0.0;
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if (!action->varflag1) vz = action->dvalue1;
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for (int i = 0; i < nlocal; i++) {
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@ -2835,7 +2829,7 @@ void Set::invoke_x(Action *action)
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double **x = atom->x;
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int varflag = action->varflag;
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double coord;
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double coord = 0.0;
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if (!action->varflag1) coord = action->dvalue1;
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for (int i = 0; i < nlocal; i++) {
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@ -2863,7 +2857,7 @@ void Set::invoke_y(Action *action)
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double **x = atom->x;
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int varflag = action->varflag;
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double coord;
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double coord = 0.0;
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if (!action->varflag1) coord = action->dvalue1;
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for (int i = 0; i < nlocal; i++) {
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@ -2891,7 +2885,7 @@ void Set::invoke_z(Action *action)
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double **x = atom->x;
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int varflag = action->varflag;
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double coord;
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double coord = 0.0;
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if (!action->varflag1) coord = action->dvalue1;
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for (int i = 0; i < nlocal; i++) {
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