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Updating multi+narg errors for fix nonaffine

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This commit is contained in:
Joel Thomas Clemmer
2024-03-04 09:23:09 -07:00
committed by Axel Kohlmeyer
parent 6a1f1f7dbc
commit 5177b50fda
1 changed files with 9 additions and 4 deletions
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13
src/EXTRA-FIX/fix_nonaffine_displacement.cpp
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@ -67,7 +67,7 @@ static const char cite_nonaffine_d2min[] =
FixNonaffineDisplacement::FixNonaffineDisplacement(LAMMPS *lmp, int narg, char **arg) :
Fix(lmp, narg, arg), id_fix(nullptr), X(nullptr), Y(nullptr), F(nullptr), norm(nullptr)
{
if (narg < 4) error->all(FLERR,"Illegal fix nonaffine/displacement command");
if (narg < 4) utils::missing_cmd_args(FLERR,"fix nonaffine/displacement", error);
nevery = utils::inumeric(FLERR, arg[3], false, lmp);
if (nevery <= 0) error->all(FLERR,"Illegal nevery value {} in fix nonaffine/displacement", nevery);
@ -79,14 +79,16 @@ FixNonaffineDisplacement::FixNonaffineDisplacement(LAMMPS *lmp, int narg, char *
nevery = 1;
iarg += 1;
} else if (strcmp(arg[iarg], "d2min") == 0) {
if (iarg + 1 > narg) error->all(FLERR,"Illegal fix nonaffine/displacement command");
if (iarg + 1 > narg) utils::missing_cmd_args(FLERR,"fix nonaffine/displacement d2min", error);
nad_style = D2MIN;
if (strcmp(arg[iarg + 1], "type") == 0) {
cut_style = TYPE;
} else if (strcmp(arg[iarg + 1], "radius") == 0) {
cut_style = RADIUS;
} else if (strcmp(arg[iarg + 1], "custom") == 0) {
if (iarg + 2 > narg) error->all(FLERR,"Illegal fix nonaffine/displacement command");
if (iarg + 2 > narg) utils::missing_cmd_args(FLERR,"fix nonaffine/displacement custom", error);
if ((neighbor->style == Neighbor::MULTI) || (neighbor->style == Neighbor::MULTI_OLD))
error->all(FLERR, "Fix nonaffine/displacement with custom cutoff requires neighbor style 'bin' or 'nsq'");
cut_style = CUSTOM;
cutoff_custom = utils::numeric(FLERR, arg[iarg + 2], false, lmp);
cutsq_custom = cutoff_custom * cutoff_custom;
@ -97,7 +99,7 @@ FixNonaffineDisplacement::FixNonaffineDisplacement(LAMMPS *lmp, int narg, char *
iarg += 2;
} else error->all(FLERR,"Illegal nonaffine displacement style {} in fix nonaffine/displacement", arg[iarg]);
if (iarg + 2 > narg) error->all(FLERR,"Illegal fix nonaffine/displacement command");
if (iarg + 2 > narg) utils::missing_cmd_args(FLERR,"fix nonaffine/displacement", error);
if (strcmp(arg[iarg], "fixed") == 0) {
reference_style = FIXED;
reference_timestep = utils::inumeric(FLERR, arg[iarg + 1], false, lmp);
@ -207,6 +209,9 @@ void FixNonaffineDisplacement::init()
} else {
auto req = neighbor->add_request(this, NeighConst::REQ_OCCASIONAL);
if (cut_style == CUSTOM) {
if ((neighbor->style == Neighbor::MULTI) || (neighbor->style == Neighbor::MULTI_OLD))
error->all(FLERR, "Fix nonaffine/displacement with custom cutoff requires neighbor style 'bin' or 'nsq'");
double skin = neighbor->skin;
mycutneigh = cutoff_custom + skin;