Applying triclinic neighbor fixes to intel package.

This commit is contained in:
W. Michael Brown
2023-08-04 08:49:27 -07:00
parent c936e98d5c
commit bc6fcdc61a
4 changed files with 144 additions and 51 deletions

View File

@ -20,6 +20,7 @@
#include "fix_intel.h"
#include "comm.h"
#include "domain.h"
#include "error.h"
#include "force.h"
#include "neighbor.h"
@ -470,6 +471,7 @@ void FixIntel::pair_init_check(const bool cdmessage)
int need_tag = 0;
if (atom->molecular != Atom::ATOMIC || three_body_neighbor()) need_tag = 1;
if (domain->triclinic && force->newton_pair) need_tag = 1;
// Clear buffers used for pair style
char kmode[80];