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bugfix: incorrect application of abs() to doubles

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@jtclemm this looks like a real bug.
Can you please check how much of an impact this change has?
This commit is contained in:
Axel Kohlmeyer
2025-06-27 22:20:32 -04:00
parent 8ddd474145
commit d2d613c8b4
1 changed files with 2 additions and 2 deletions
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4
src/GRANULAR/gran_sub_mod_normal.cpp
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@ -851,14 +851,14 @@ double GranSubModNormalMDR::calculate_forces()
for (int lv1 = 0; lv1 < MDR_MAX_IT; ++lv1) {
fa_tmp = deltae1D - A * 0.5 + A * sqrt(Bsq * 0.25 - square(aAdh_tmp)) * Binv;
fa = fa_tmp + sqrt(MY_2PI * aAdh_tmp * gamma * Eeffinv);
if (abs(fa) < MDR_EPSILON1) {
if (fabs(fa) < MDR_EPSILON1) {
break;
}
dfda = -aAdh_tmp * A / (B * sqrt(-square(aAdh_tmp) + Bsq * 0.25));
dfda += gamma * SQRTHALFPI / sqrt(aAdh_tmp * gamma * Eeff);
aAdh_tmp = aAdh_tmp - fa / dfda;
fa2 = fa_tmp + sqrt(MY_2PI * aAdh_tmp * gamma * Eeffinv);
if (abs(fa - fa2) < MDR_EPSILON2) {
if (fabs(fa - fa2) < MDR_EPSILON2) {
break;
}
if (lv1 == MDR_MAX_IT - 1) {