From bf7d42342369bb699ff1aae575790b9bc833136b Mon Sep 17 00:00:00 2001 From: sjplimp Date: Tue, 22 Feb 2011 20:30:59 +0000 Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5702 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- src/MEAM/pair_meam.cpp | 9 +++++---- 1 file changed, 5 insertions(+), 4 deletions(-) diff --git a/src/MEAM/pair_meam.cpp b/src/MEAM/pair_meam.cpp index f2abbf6898..2f89c0694e 100644 --- a/src/MEAM/pair_meam.cpp +++ b/src/MEAM/pair_meam.cpp @@ -37,11 +37,12 @@ using namespace LAMMPS_NS; #define MAXLINE 1024 -enum{FCC,BCC,HCP,DIM,DIAMOND,B1,C11,L12}; -int nkeywords = 16; +enum{FCC,BCC,HCP,DIM,DIAMOND,B1,C11,L12,B2}; +int nkeywords = 19; char *keywords[] = {"Ec","alpha","rho0","delta","lattce", "attrac","repuls","nn2","Cmin","Cmax","rc","delr", - "augt1","gsmooth_factor","re","ialloy"}; + "augt1","gsmooth_factor","re","ialloy","mixture_ref_t", + "erose_form","zbl"}; /* ---------------------------------------------------------------------- */ @@ -707,6 +708,7 @@ void PairMEAM::read_files(char *globalfile, char *userfile) else if (strcmp(params[nparams-1],"b1") == 0) value = B1; else if (strcmp(params[nparams-1],"c11") == 0) value = C11; else if (strcmp(params[nparams-1],"l12") == 0) value = L12; + else if (strcmp(params[nparams-1],"b2") == 0) value = B2; else error->all("Unrecognized lattice type in MEAM file 2"); } else value = atof(params[nparams-1]); @@ -764,7 +766,6 @@ int PairMEAM::pack_comm(int n, int *list, double *buf, int pbc_flag, int *pbc) buf[m++] = tsq_ave[j][1]; buf[m++] = tsq_ave[j][2]; } - return comm_forward; }