add option to extract newton_bond/newton_pair settings

This commit is contained in:
Axel Kohlmeyer
2020-11-17 16:38:11 -05:00
committed by Richard Berger
parent 7cb644b425
commit 849e5ffee2
2 changed files with 34 additions and 4 deletions

View File

@ -841,6 +841,10 @@ not recognized, the function returns -1.
See :doc:`create_box`.
* - nthreads
- Number of requested OpenMP threads for LAMMPS' execution
* - newton_bond
- 1 if Newton's 3rd law is applied to bonded interactions, 0 if not.
* - newton_pair
- 1 if Newton's 3rd law is applied to non-bonded interactions, 0 if not.
* - triclinic
- 1 if the the simulation box is triclinic, 0 if orthogonal.
See :doc:`change_box`.
@ -933,6 +937,8 @@ int lammps_extract_setting(void *handle, const char *keyword)
if (strcmp(keyword,"dimension") == 0) return lmp->domain->dimension;
if (strcmp(keyword,"box_exist") == 0) return lmp->domain->box_exist;
if (strcmp(keyword,"newton_bond") == 0) return lmp->force->newton_bond;
if (strcmp(keyword,"newton_pair") == 0) return lmp->force->newton_pair;
if (strcmp(keyword,"triclinic") == 0) return lmp->domain->triclinic;
if (strcmp(keyword,"universe_rank") == 0) return lmp->universe->me;