ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

don't use double as boolean, use qualified auto

Browse Source
This commit is contained in:
Axel Kohlmeyer
2025-06-28 04:48:47 -04:00
parent 039fb94faa
commit ac7013432b
1 changed files with 5 additions and 5 deletions
Download Patch File Download Diff File Expand all files Collapse all files

10
src/fix_langevin.cpp
View File

@ -245,7 +245,7 @@ void FixLangevin::init()
// warn if any integrate fix comes after this one // warn if any integrate fix comes after this one
int before = 1; int before = 1;
int flag = 0; int flag = 0;
for (auto ifix : modify->get_fix_list()) { for (auto *ifix : modify->get_fix_list()) {
if (strcmp(id, ifix->id) == 0) if (strcmp(id, ifix->id) == 0)
before = 0; before = 0;
else if ((modify->get_fix_mask(ifix) && utils::strmatch(ifix->style, "^nve")) && before) else if ((modify->get_fix_mask(ifix) && utils::strmatch(ifix->style, "^nve")) && before)
@ -258,7 +258,7 @@ void FixLangevin::init()
error->all(FLERR, "Fix langevin omega requires atom attribute omega"); error->all(FLERR, "Fix langevin omega requires atom attribute omega");
if (oflag && !atom->radius_flag) if (oflag && !atom->radius_flag)
error->all(FLERR, "Fix langevin omega requires atom attribute radius"); error->all(FLERR, "Fix langevin omega requires atom attribute radius");
if (ascale && !atom->ellipsoid_flag) if ((ascale != 0.0) && !atom->ellipsoid_flag)
error->all(FLERR, "Fix langevin angmom requires atom style ellipsoid"); error->all(FLERR, "Fix langevin angmom requires atom style ellipsoid");
// check variable // check variable
@ -286,7 +286,7 @@ void FixLangevin::init()
if (radius[i] == 0.0) error->one(FLERR, "Fix langevin omega requires extended particles"); if (radius[i] == 0.0) error->one(FLERR, "Fix langevin omega requires extended particles");
} }
if (ascale) { if (ascale != 0.0) {
avec = dynamic_cast<AtomVecEllipsoid *>(atom->style_match("ellipsoid")); avec = dynamic_cast<AtomVecEllipsoid *>(atom->style_match("ellipsoid"));
if (!avec) error->all(FLERR, "Fix langevin angmom requires atom style ellipsoid"); if (!avec) error->all(FLERR, "Fix langevin angmom requires atom style ellipsoid");
@ -376,7 +376,7 @@ void FixLangevin::setup(int vflag)
if (utils::strmatch(update->integrate_style, "^verlet")) if (utils::strmatch(update->integrate_style, "^verlet"))
post_force(vflag); post_force(vflag);
else { else {
auto respa = static_cast<Respa *>(update->integrate); auto *respa = static_cast<Respa *>(update->integrate);
respa->copy_flevel_f(nlevels_respa - 1); respa->copy_flevel_f(nlevels_respa - 1);
post_force_respa(vflag, nlevels_respa - 1, 0); post_force_respa(vflag, nlevels_respa - 1, 0);
respa->copy_f_flevel(nlevels_respa - 1); respa->copy_f_flevel(nlevels_respa - 1);
@ -779,7 +779,7 @@ void FixLangevin::post_force_templated()
// thermostat omega and angmom // thermostat omega and angmom
if (oflag) omega_thermostat(); if (oflag) omega_thermostat();
if (ascale) angmom_thermostat(); if (ascale != 0.0) angmom_thermostat();
} }
/* ---------------------------------------------------------------------- /* ----------------------------------------------------------------------