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Merge branch 'kim-simulator-models' of github.com:ellio167/lammps into kim-simulator-models

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This commit is contained in:
Ellad Tadmor
2019-06-24 13:55:22 -05:00
parent 0ddcc023a5 f2380a24ef
commit c8a2f61c16
2 changed files with 26 additions and 9 deletions
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4
doc/src/kim_commands.txt
View File

@ -6,7 +6,9 @@
:line
kim_commands :h3
kim_init command :h3
kim_interactions command :h3
kim_query command :h3
[Syntax:]

31
src/input.cpp
View File

@ -239,8 +239,8 @@ void Input::file()
}
/* ----------------------------------------------------------------------
process all input from filename
called from library interface
process all input from file at filename
mostly called from library interface
------------------------------------------------------------------------- */
void Input::file(const char *filename)
@ -250,21 +250,30 @@ void Input::file(const char *filename)
// call to file() will close filename and decrement nfile
if (me == 0) {
if (nfile > 1)
error->one(FLERR,"Invalid use of library file() function");
if (nfile == maxfile) {
maxfile++;
infiles = (FILE **)
memory->srealloc(infiles,maxfile*sizeof(FILE *),"input:infiles");
}
if (infile && infile != stdin) fclose(infile);
infile = fopen(filename,"r");
if (infile == NULL) {
char str[128];
snprintf(str,128,"Cannot open input script %s",filename);
error->one(FLERR,str);
}
infiles[0] = infile;
nfile = 1;
infiles[nfile++] = infile;
}
// process contents of file
file();
if (me == 0) {
fclose(infile);
nfile--;
infile = infiles[nfile-1];
}
}
/* ----------------------------------------------------------------------
@ -1041,7 +1050,13 @@ void Input::include()
error->one(FLERR,str);
}
infiles[nfile++] = infile;
file();
}
// process contents of file
file();
if (me == 0) {
fclose(infile);
nfile--;
infile = infiles[nfile-1];