added support for LAMMPS as MDI AIMD driver

2021-09-02 17:52:10 -06:00
parent 55f20288b1
commit 75cb6fc51b
9 changed files with 1936 additions and 3 deletions
--- a/src/comm.cpp
+++ b/src/comm.cpp
@ -739,7 +739,8 @@ double Comm::get_comm_cutoff()
      error->warning(FLERR,"Communication cutoff adjusted to {}",maxcommcutoff);
  }

-  // Check maximum interval size for neighbor multi
+  // check maximum interval size for neighbor multi
+
  if (neighbor->interval_collection_flag) {
    for (int i = 0; i < neighbor->ncollections; i++){
      maxcommcutoff = MAX(maxcommcutoff, neighbor->collection2cut[i]);