jianmu
/
lammps
forked from lijiext/lammps
1
0
Fork 0
Code Issues Pull Requests Packages Projects Releases Wiki Activity

add post yes/no keyword to rerun commmand (with default to no)

This commit is contained in:
Axel Kohlmeyer 2021-04-05 15:38:59 -04:00
parent e00e2676fc
commit fc6e10921d
No known key found for this signature in database
GPG Key ID: D9B44E93BF0C375A
2 changed files with 18 additions and 3 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

9
doc/src/rerun.rst
View File

@ -15,7 +15,7 @@ Syntax
.. parsed-literal::
keyword = *first* or *last* or *every* or *skip* or *start* or *stop* or *dump*
keyword = *first* or *last* or *every* or *skip* or *start* or *stop* or *post* or *dump*
*first* args = Nfirst
Nfirst = dump timestep to start on
*last* args = Nlast
@ -28,6 +28,7 @@ Syntax
Nstart = timestep on which pseudo run will start
*stop* args = Nstop
Nstop = timestep to which pseudo run will end
*post* value = *yes* or *no*
*dump* args = same as :doc:`read_dump <read_dump>` command starting with its field arguments
Examples
@ -154,6 +155,10 @@ Also note that an error will occur if you read a snapshot from the
dump file with a timestep value larger than the *stop* setting you
have specified.
The *post* keyword can be used to minimize the output to the screen that
happens after a *rerun* command, similar to the post keyword of the
:doc:`run command <run>`. It is set to *no* by default.
The *dump* keyword is required and must be the last keyword specified.
Its arguments are passed internally to the :doc:`read_dump <read_dump>`
command. The first argument following the *dump* keyword should be
@ -226,4 +231,4 @@ Default
The option defaults are first = 0, last = a huge value (effectively
infinity), start = same as first, stop = same as last, every = 0, skip
= 1;
= 1, post = no;

12
src/rerun.cpp
View File

@ -51,6 +51,7 @@ void Rerun::command(int narg, char **arg)
if (strcmp(arg[iarg],"start") == 0) break;
if (strcmp(arg[iarg],"stop") == 0) break;
if (strcmp(arg[iarg],"dump") == 0) break;
if (strcmp(arg[iarg],"post") == 0) break;
iarg++;
}
int nfile = iarg;
@ -65,6 +66,7 @@ void Rerun::command(int narg, char **arg)
int nskip = 1;
int startflag = 0;
int stopflag = 0;
int postflag = 0;
bigint start = -1;
bigint stop = -1;
@ -101,6 +103,14 @@ void Rerun::command(int narg, char **arg)
stop = utils::bnumeric(FLERR,arg[iarg+1],false,lmp);
if (stop < 0) error->all(FLERR,"Illegal rerun command");
iarg += 2;
} else if (strcmp(arg[iarg],"post") == 0) {
if (iarg+2 > narg) error->all(FLERR,"Illegal rerun command");
if (strcmp(arg[iarg+1],"yes") == 0) {
postflag = 1;
} else if (strcmp(arg[iarg+1],"no") == 0) {
postflag = 0;
} else error->all(FLERR,"Illegal rerun command");
iarg += 2;
} else if (strcmp(arg[iarg],"dump") == 0) {
break;
} else error->all(FLERR,"Illegal rerun command");
@ -182,7 +192,7 @@ void Rerun::command(int narg, char **arg)
update->nsteps = ndump;
Finish finish(lmp);
finish.end(1);
finish.end(postflag);
update->whichflag = 0;
update->firststep = update->laststep = 0;