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Pulled develop. Solved false_positives.txt bond.cpp and bond.h files conflict.

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This commit is contained in:
Germain Clavier
2022-04-22 00:24:50 +02:00
parent 0b0947c167 aebbd04297
commit 5fd2311951
1146 changed files with 43267 additions and 47283 deletions
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14
src/pair_hybrid.cpp
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@ -51,8 +51,8 @@ PairHybrid::~PairHybrid()
for (int m = 0; m < nstyles; m++) {
delete styles[m];
delete[] keywords[m];
if (special_lj[m]) delete[] special_lj[m];
if (special_coul[m]) delete[] special_coul[m];
delete[] special_lj[m];
delete[] special_coul[m];
}
}
delete[] styles;
@ -115,7 +115,7 @@ void PairHybrid::compute(int eflag, int vflag)
Respa *respa = nullptr;
respaflag = 0;
if (utils::strmatch(update->integrate_style,"^respa")) {
respa = (Respa *) update->integrate;
respa = dynamic_cast<Respa *>( update->integrate);
if (respa->nhybrid_styles > 0) respaflag = 1;
}
@ -275,8 +275,8 @@ void PairHybrid::settings(int narg, char **arg)
for (int m = 0; m < nstyles; m++) {
delete styles[m];
delete[] keywords[m];
if (special_lj[m]) delete[] special_lj[m];
if (special_coul[m]) delete[] special_coul[m];
delete[] special_lj[m];
delete[] special_coul[m];
}
delete[] styles;
delete[] keywords;
@ -1051,7 +1051,7 @@ void PairHybrid::set_special(int m)
double * PairHybrid::save_special()
{
double *saved = new double[8];
auto saved = new double[8];
for (int i = 0; i < 4; ++i) {
saved[i] = force->special_lj[i];
@ -1092,7 +1092,7 @@ void *PairHybrid::extract(const char *str, int &dim)
if (couldim != -1 && dim != couldim)
error->all(FLERR,
"Coulomb styles of pair hybrid sub-styles do not match");
double *p_newvalue = (double *) ptr;
auto p_newvalue = (double *) ptr;
double newvalue = *p_newvalue;
if (cutptr && (newvalue != cutvalue))
error->all(FLERR,