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apply clang-format

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This commit is contained in:
Axel Kohlmeyer
2022-05-14 18:01:34 -04:00
parent a79814793e
commit 8e6b0425f7
9 changed files with 37 additions and 42 deletions
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21
src/create_atoms.cpp
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@ -179,8 +179,8 @@ void CreateAtoms::command(int narg, char **arg)
error->all(FLERR, "Illegal create_atoms command");
iarg += 2;
} else if (strcmp(arg[iarg], "var") == 0) {
if (style == SINGLE) error->all(FLERR, "Illegal create_atoms command: "
"can't combine 'var' keyword with 'single' style!");
if (style == SINGLE)
error->all(FLERR, "Cannot combine 'var' keyword with 'single' style of create_atoms");
if (iarg + 2 > narg) error->all(FLERR, "Illegal create_atoms command");
delete[] vstr;
vstr = utils::strdup(arg[iarg + 1]);
@ -244,7 +244,7 @@ void CreateAtoms::command(int narg, char **arg)
error->all(FLERR, "Create_atoms maxtry can only be used with random style");
if (iarg + 2 > narg) error->all(FLERR, "Illegal create_atoms command");
maxtry = utils::inumeric(FLERR, arg[iarg + 1], false, lmp);
if (maxtry <= 0) error->all(FLERR,"Illegal create_atoms command");
if (maxtry <= 0) error->all(FLERR, "Illegal create_atoms command");
iarg += 2;
} else
error->all(FLERR, "Illegal create_atoms command");
@ -256,10 +256,8 @@ void CreateAtoms::command(int narg, char **arg)
if (ntype <= 0 || ntype > atom->ntypes)
error->all(FLERR, "Invalid atom type in create_atoms command");
} else if (mode == MOLECULE) {
if (onemol->xflag == 0)
error->all(FLERR, "Create_atoms molecule must have coordinates");
if (onemol->typeflag == 0)
error->all(FLERR, "Create_atoms molecule must have atom types");
if (onemol->xflag == 0) error->all(FLERR, "Create_atoms molecule must have coordinates");
if (onemol->typeflag == 0) error->all(FLERR, "Create_atoms molecule must have atom types");
if (ntype + onemol->ntypes <= 0 || ntype + onemol->ntypes > atom->ntypes)
error->all(FLERR, "Invalid atom type in create_atoms mol command");
if (onemol->tag_require && !atom->tag_enable)
@ -670,7 +668,7 @@ void CreateAtoms::add_random()
if (overlapflag) {
double odist = overlap;
if (mode == MOLECULE) odist += onemol->molradius;
odistsq = odist*odist;
odistsq = odist * odist;
}
// random number generator, same for all procs
@ -718,7 +716,7 @@ void CreateAtoms::add_random()
// insert Nrandom new atom/molecule into simulation box
int ntry,success;
int ntry, success;
int ninsert = 0;
for (int i = 0; i < nrandom; i++) {
@ -766,7 +764,7 @@ void CreateAtoms::add_random()
dely = xone[1] - x[i][1];
delz = xone[2] - x[i][2];
domain->minimum_image(delx, dely, delz);
distsq = delx*delx + dely*dely + delz*delz;
distsq = delx * delx + dely * dely + delz * delz;
if (distsq < odistsq) {
reject = 1;
break;
@ -982,8 +980,7 @@ void CreateAtoms::loop_lattice(int action)
// if variable test specified, eval variable
if (varflag && vartest(x) == 0)
continue;
if (varflag && vartest(x) == 0) continue;
// test if atom/molecule position is in my subbox