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Make Kokkos pair_snap chunksize user-settable

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Stan Moore
2020-02-24 12:53:01 -07:00
parent 7434267f57
commit 1b7a8d8875
3 changed files with 20 additions and 13 deletions
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3
src/SNAP/pair_snap.cpp
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@ -635,6 +635,7 @@ void PairSNAP::read_files(char *coefffilename, char *paramfilename)
switchflag = 1;
bzeroflag = 1;
quadraticflag = 0;
chunk_size = 2000;
// open SNAP parameter file on proc 0
@ -698,6 +699,8 @@ void PairSNAP::read_files(char *coefffilename, char *paramfilename)
bzeroflag = atoi(keyval);
else if (strcmp(keywd,"quadraticflag") == 0)
quadraticflag = atoi(keyval);
else if (strcmp(keywd,"chunksize") == 0)
chunk_size = atoi(keyval);
else
error->all(FLERR,"Incorrect SNAP parameter file");
}