ICODE-ADC/lammps
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Merge branch 'develop' into BPM

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This commit is contained in:
Axel Kohlmeyer
2022-04-11 12:18:34 -04:00
parent d710d19aef 236d275b2f
commit 36723853c9
1084 changed files with 38368 additions and 47018 deletions
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6
src/atom.cpp
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@ -800,7 +800,7 @@ AtomVec *Atom::style_match(const char *style)
{
if (strcmp(atom_style,style) == 0) return avec;
else if (strcmp(atom_style,"hybrid") == 0) {
auto avec_hybrid = (AtomVecHybrid *) avec;
auto avec_hybrid = dynamic_cast<AtomVecHybrid *>( avec);
for (int i = 0; i < avec_hybrid->nstyles; i++)
if (strcmp(avec_hybrid->keywords[i],style) == 0)
return avec_hybrid->styles[i];
@ -1845,7 +1845,7 @@ int Atom::shape_consistency(int itype,
double one[3] = {-1.0, -1.0, -1.0};
double *shape;
auto avec_ellipsoid = (AtomVecEllipsoid *) style_match("ellipsoid");
auto avec_ellipsoid = dynamic_cast<AtomVecEllipsoid *>( style_match("ellipsoid"));
auto bonus = avec_ellipsoid->bonus;
int flag = 0;
@ -2220,7 +2220,7 @@ void Atom::setup_sort_bins()
#ifdef LMP_GPU
if (userbinsize == 0.0) {
FixGPU *fix = (FixGPU *)modify->get_fix_by_id("package_gpu");
FixGPU *fix = dynamic_cast<FixGPU *>(modify->get_fix_by_id("package_gpu"));
if (fix) {
const double subx = domain->subhi[0] - domain->sublo[0];
const double suby = domain->subhi[1] - domain->sublo[1];