From 346df7dc623b744742b94f691967f15e486d03a0 Mon Sep 17 00:00:00 2001 From: sjplimp Date: Fri, 18 Jan 2008 17:18:55 +0000 Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1389 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- tools/restart2data.cpp | 26 ++++++++++++++++++++++---- 1 file changed, 22 insertions(+), 4 deletions(-) diff --git a/tools/restart2data.cpp b/tools/restart2data.cpp index 61e16198b3..872d474f55 100644 --- a/tools/restart2data.cpp +++ b/tools/restart2data.cpp @@ -1187,7 +1187,8 @@ void pair(FILE *fp, Data &data, char *style, int flag) } else if ((strcmp(style,"buck") == 0) || (strcmp(style,"buck/coul/cut") == 0) || - (strcmp(style,"buck/coul/long") == 0)) { + (strcmp(style,"buck/coul/long") == 0) || + (strcmp(style,"buck/coul") == 0)) { if (strcmp(style,"buck") == 0) { m = 0; @@ -1206,6 +1207,13 @@ void pair(FILE *fp, Data &data, char *style, int flag) double cut_lj_coul = read_double(fp); int offset_flag = read_int(fp); int mix_flag = read_int(fp); + } else if (strcmp(style,"buck/coul") == 0) { + m = 0; + double cut_buck_global = read_double(fp); + double cut_coul = read_double(fp); + int offset_flag = read_int(fp); + int mix_flag = read_int(fp); + int ewald_order = read_int(fp); } if (!flag) return; @@ -1516,7 +1524,8 @@ void pair(FILE *fp, Data &data, char *style, int flag) (strcmp(style,"lj/cut/coul/cut") == 0) || (strcmp(style,"lj/cut/coul/debye") == 0) || (strcmp(style,"lj/cut/coul/long") == 0) || - (strcmp(style,"lj/cut/coul/long/tip4p") == 0)) { + (strcmp(style,"lj/cut/coul/long/tip4p") == 0) || + (strcmp(style,"lj/coul") == 0)) { if (strcmp(style,"lj/cut") == 0) { m = 0; @@ -1552,6 +1561,13 @@ void pair(FILE *fp, Data &data, char *style, int flag) double cut_lj_coul = read_double(fp); int offset_flag = read_int(fp); int mix_flag = read_int(fp); + } else if (strcmp(style,"lj/coul") == 0) { + m = 0; + double cut_lj_global = read_double(fp); + double cut_coul = read_double(fp); + int offset_flag = read_int(fp); + int mix_flag = read_int(fp); + int ewald_order = read_int(fp); } if (!flag) return; @@ -2291,7 +2307,8 @@ void Data::write(FILE *fp) if ((strcmp(pair_style,"buck") == 0) || (strcmp(pair_style,"buck/coul/cut") == 0) || - (strcmp(pair_style,"buck/coul/long") == 0)) { + (strcmp(pair_style,"buck/coul/long") == 0) || + (strcmp(pair_style,"buck/long") == 0)) { for (int i = 1; i <= ntypes; i++) fprintf(fp,"%d %g %g %g\n",i, pair_buck_A[i],pair_buck_rho[i],pair_buck_C[i]); @@ -2340,7 +2357,8 @@ void Data::write(FILE *fp) (strcmp(pair_style,"lj/cut/coul/cut") == 0) || (strcmp(pair_style,"lj/cut/coul/debye") == 0) || (strcmp(pair_style,"lj/cut/coul/long") == 0) || - (strcmp(pair_style,"lj/cut/coul/long/tip4p") == 0)) { + (strcmp(pair_style,"lj/cut/coul/long/tip4p") == 0) | + (strcmp(pair_style,"lj/coul") == 0)) { for (int i = 1; i <= ntypes; i++) fprintf(fp,"%d %g %g\n",i, pair_lj_epsilon[i],pair_lj_sigma[i]);