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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9661 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2013-03-13 15:43:17 +00:00
parent b78c4aa841
commit a200f0ae38
1 changed files with 14 additions and 0 deletions
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14
tools/restart2data.cpp
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@ -2153,6 +2153,7 @@ void pair(FILE *fp, Data &data, char *style, int flag)
(strcmp(style,"lj/cut/coul/debye") == 0) || (strcmp(style,"lj/cut/coul/debye") == 0) ||
(strcmp(style,"lj/cut/coul/long") == 0) || (strcmp(style,"lj/cut/coul/long") == 0) ||
(strcmp(style,"lj/cut/coul/long/proxy") == 0) || (strcmp(style,"lj/cut/coul/long/proxy") == 0) ||
(strcmp(style,"lj/cut/tip4p/cut") == 0) ||
(strcmp(style,"lj/cut/tip4p/long") == 0) || (strcmp(style,"lj/cut/tip4p/long") == 0) ||
(strcmp(style,"lj/long/coullong") == 0)) { (strcmp(style,"lj/long/coullong") == 0)) {
@ -2201,6 +2202,18 @@ void pair(FILE *fp, Data &data, char *style, int flag)
int tail_flag = read_int(fp); int tail_flag = read_int(fp);
int ncoultablebits = read_int(fp); int ncoultablebits = read_int(fp);
double tabinner = read_double(fp); double tabinner = read_double(fp);
} else if (strcmp(style,"lj/cut/tip4p/cut") == 0) {
m = 0;
int typeO = read_int(fp);
int typeH = read_int(fp);
int typeB = read_int(fp);
int typeA = read_int(fp);
double qdist = read_double(fp);
double cut_lj_global = read_double(fp);
double cut_lj_coul = read_double(fp);
int offset_flag = read_int(fp);
int mix_flag = read_int(fp);
int tail_flag = read_int(fp);
} else if (strcmp(style,"lj/cut/tip4p/long") == 0) { } else if (strcmp(style,"lj/cut/tip4p/long") == 0) {
m = 0; m = 0;
int typeO = read_int(fp); int typeO = read_int(fp);
@ -3358,6 +3371,7 @@ void Data::write(FILE *fp, FILE *fp2, int write_coeffs, int write_vels)
(strcmp(pair_style,"lj/cut/coul/debye") == 0) || (strcmp(pair_style,"lj/cut/coul/debye") == 0) ||
(strcmp(pair_style,"lj/cut/coul/long") == 0) || (strcmp(pair_style,"lj/cut/coul/long") == 0) ||
(strcmp(pair_style,"lj/cut/coul/long/proxy") == 0) || (strcmp(pair_style,"lj/cut/coul/long/proxy") == 0) ||
(strcmp(pair_style,"lj/cut/tip4p/cut") == 0) ||
(strcmp(pair_style,"lj/cut/tip4p/long") == 0) || (strcmp(pair_style,"lj/cut/tip4p/long") == 0) ||
(strcmp(pair_style,"lj/long/coul/long") == 0)) { (strcmp(pair_style,"lj/long/coul/long") == 0)) {
for (int i = 1; i <= ntypes; i++) for (int i = 1; i <= ntypes; i++)