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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6468 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2011-06-23 13:43:02 +00:00
parent 75b8a69309
commit c6d9d554f0
1 changed files with 9 additions and 0 deletions
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9
tools/restart2data.cpp
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@ -1338,6 +1338,7 @@ void pair(FILE *fp, Data &data, char *style, int flag)
if (strcmp(style,"none") == 0) {
} else if (strcmp(style,"adp") == 0) {
} else if (strcmp(style,"airebo") == 0) {
} else if (strcmp(style,"born/coul/long") == 0) {
@ -1811,6 +1812,7 @@ void pair(FILE *fp, Data &data, char *style, int flag)
}
} else if ((strcmp(style,"lj/cut") == 0) ||
(strcmp(style,"lj96/cut") == 0) ||
(strcmp(style,"lj/cut/coul/cut") == 0) ||
(strcmp(style,"lj/cut/coul/debye") == 0) ||
(strcmp(style,"lj/cut/coul/long") == 0) ||
@ -1822,6 +1824,11 @@ void pair(FILE *fp, Data &data, char *style, int flag)
double cut_lj_global = read_double(fp);
int offset_flag = read_int(fp);
int mix_flag = read_int(fp);
} else if (strcmp(style,"lj96/cut") == 0) {
m = 0;
double cut_lj_global = read_double(fp);
int offset_flag = read_int(fp);
int mix_flag = read_int(fp);
} else if (strcmp(style,"lj/cut/coul/cut") == 0) {
m = 1;
double cut_lj_global = read_double(fp);
@ -2761,6 +2768,7 @@ void Data::write(FILE *fp, FILE *fp2)
if (pair_style && fp2 == NULL) {
if ((strcmp(pair_style,"none") != 0) &&
(strcmp(pair_style,"adp") != 0) &&
(strcmp(pair_style,"airebo") != 0) &&
(strcmp(pair_style,"coul/cut") != 0) &&
(strcmp(pair_style,"coul/debye") != 0) &&
@ -2842,6 +2850,7 @@ void Data::write(FILE *fp, FILE *fp2)
pair_class2_epsilon[i],pair_class2_sigma[i]);
} else if ((strcmp(pair_style,"lj/cut") == 0) ||
(strcmp(pair_style,"lj96/cut") == 0) ||
(strcmp(pair_style,"lj/cut/coul/cut") == 0) ||
(strcmp(pair_style,"lj/cut/coul/debye") == 0) ||
(strcmp(pair_style,"lj/cut/coul/long") == 0) ||