hello,
There seems to be a misplaced parentheses in the trial move step on
lines 1729-1730 of fix_gcmc.cpp in attempt_molecule_insertion_full();
this,
if (random_equal->uniform() < zz*volume*natoms_per_molecule*
exp(beta*(energy_before - energy_after)/(ngas + natoms_per_molecule))) {
should instead be,
if (random_equal->uniform() < zz*volume*natoms_per_molecule*
exp(beta*(energy_before - energy_after))/(ngas + natoms_per_molecule)) {
-CBL