ICODE-ADC/lammps
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Completing pair and fix

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This commit is contained in:
Joel Clemmer
2021-05-14 17:26:51 -06:00
parent fdf12c4abc
commit d939a16d3b
7 changed files with 149 additions and 236 deletions
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10
src/dump.cpp
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@ -83,6 +83,7 @@ Dump::Dump(LAMMPS *lmp, int /*narg*/, char **arg) : Pointers(lmp)
unit_flag = 0;
unit_count = 0;
delay_flag = 0;
write_header_flag = 1;
maxfiles = -1;
numfiles = 0;
@ -377,7 +378,7 @@ void Dump::write()
if (multiproc)
MPI_Allreduce(&bnme,&nheader,1,MPI_LMP_BIGINT,MPI_SUM,clustercomm);
if (filewriter) write_header(nheader);
if (filewriter && write_header_flag) write_header(nheader);
// insure buf is sized for packing and communicating
// use nmax to insure filewriter proc can receive info from others
@ -931,6 +932,13 @@ void Dump::modify_params(int narg, char **arg)
else delay_flag = 0;
iarg += 2;
} else if (strcmp(arg[iarg],"header") == 0) {
if (iarg+2 > narg) error->all(FLERR,"Illegal dump_modify command");
if (strcmp(arg[iarg+1],"yes") == 0) write_header_flag = 1;
else if (strcmp(arg[iarg+1],"no") == 0) write_header_flag = 0;
else error->all(FLERR,"Illegal dump_modify command");
iarg += 2;
} else if (strcmp(arg[iarg],"every") == 0) {
if (iarg+2 > narg) error->all(FLERR,"Illegal dump_modify command");
int idump;