Merge branch 'maintenance' of github.com:lammps/lammps into maintenance

This commit is contained in:
Axel Kohlmeyer
2024-08-30 23:21:10 -04:00

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@ -295,6 +295,7 @@ void PairQUIP::coeff(int narg, char **arg)
// the location of the previously initialised potential to the quip_potential
// variable, and we will use it as a handle when calling the actual calculation
// routine. We return the cutoff as well.
delete[] quip_potential;
quip_potential = new int[n_quip_potential];
quip_lammps_potential_initialise(quip_potential, &n_quip_potential, &cutoff, quip_file,
&n_quip_file, quip_string, &n_quip_string);