Renamed born method born_matrix in all classes. Changed compute_born to compute_born_matrix. Changed the compute coding to suit the LAMMPS style rules better.

This commit is contained in:
Germain Clavier
2022-01-21 18:39:16 +01:00
parent 8531622966
commit 3ff1902b57
15 changed files with 202 additions and 234 deletions

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@ -58,7 +58,7 @@ Pair::Pair(LAMMPS *lmp) : Pointers(lmp)
comm_forward = comm_reverse = comm_reverse_off = 0;
single_enable = 1;
born_enable = 0;
born_matrix_enable = 0;
single_hessian_enable = 0;
restartinfo = 1;
respa_enable = 0;