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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6283 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2011-06-01 15:52:05 +00:00
parent d26432adac
commit 889ad4ff5f
1 changed files with 6 additions and 2 deletions
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8
src/read_data.cpp
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@ -16,6 +16,7 @@
#include "mpi.h"
#include "string.h"
#include "stdlib.h"
#include "ctype.h"
#include "read_data.h"
#include "atom.h"
#include "atom_vec.h"
@ -1368,7 +1369,9 @@ void ReadData::skip_lines(int n)
parse a line of coeffs into words, storing them in narg,arg
trim anything from '#' onward
word strings remain in line, are not copied
if addstr != NULL, add addstr as 2nd arg for class2 angle/dihedral/improper
if addstr != NULL, add addstr as extra arg for class2 angle/dihedral/improper
if 2nd word starts with letter, then is hybrid style, add addstr after it
else add addstr before 2nd word
if dupflag, duplicate 1st word, so pair_coeff "2" becomes "2 2"
------------------------------------------------------------------------- */
@ -1385,8 +1388,9 @@ void ReadData::parse_coeffs(char *line, char *addstr, int dupflag)
arg = (char **)
memory->srealloc(arg,maxarg*sizeof(char *),"read_data:arg");
}
if (addstr && narg == 1 && !islower(word[0])) arg[narg++] = addstr;
arg[narg++] = word;
if (addstr && narg == 1) arg[narg++] = addstr;
if (addstr && narg == 2 && islower(word[0])) arg[narg++] = addstr;
if (dupflag && narg == 1) arg[narg++] = word;
word = strtok(NULL," \t\n\r\f");
}