diff --git a/src/USER-NETCDF/dump_netcdf.cpp b/src/USER-NETCDF/dump_netcdf.cpp index 85a2d40935..be274b2052 100644 --- a/src/USER-NETCDF/dump_netcdf.cpp +++ b/src/USER-NETCDF/dump_netcdf.cpp @@ -947,64 +947,6 @@ int DumpNetCDF::modify_param(int narg, char **arg) /* ---------------------------------------------------------------------- */ -void DumpNetCDF::write_prmtop() -{ - char fn[1024]; - char tmp[81]; - FILE *f; - - strcpy(fn, filename); - strcat(fn, ".prmtop"); - - f = fopen(fn, "w"); - fprintf(f, "%%VERSION LAMMPS\n"); - fprintf(f, "%%FLAG TITLE\n"); - fprintf(f, "%%FORMAT(20a4)\n"); - memset(tmp, ' ', 76); - tmp[76] = '\0'; - fprintf(f, "NASN%s\n", tmp); - - fprintf(f, "%%FLAG POINTERS\n"); - fprintf(f, "%%FORMAT(10I8)\n"); - fprintf(f, BIGINT_FORMAT, ntotalgr); - for (int i = 0; i < 11; i++) - fprintf(f, "%8i", 0); - fprintf(f, "\n"); - for (int i = 0; i < 12; i++) - fprintf(f, "%8i", 0); - fprintf(f, "\n"); - for (int i = 0; i < 6; i++) - fprintf(f, "%8i", 0); - fprintf(f, "\n"); - - fprintf(f, "%%FLAG ATOM_NAME\n"); - fprintf(f, "%%FORMAT(20a4)\n"); - for (int i = 0; i < ntotalgr; i++) { - fprintf(f, "%4s", "He"); - if ((i+1) % 20 == 0) - fprintf(f, "\n"); - } - - fprintf(f, "%%FLAG CHARGE\n"); - fprintf(f, "%%FORMAT(5E16.5)\n"); - for (int i = 0; i < ntotalgr; i++) { - fprintf(f, "%16.5e", 0.0); - if ((i+1) % 5 == 0) - fprintf(f, "\n"); - } - - fprintf(f, "%%FLAG MASS\n"); - fprintf(f, "%%FORMAT(5E16.5)\n"); - for (int i = 0; i < ntotalgr; i++) { - fprintf(f, "%16.5e", 1.0); - if ((i+1) % 5 == 0) - fprintf(f, "\n"); - } - fclose(f); -} - -/* ---------------------------------------------------------------------- */ - void DumpNetCDF::ncerr(int err, const char *descr, int line) { if (err != NC_NOERR) { diff --git a/src/USER-NETCDF/dump_netcdf.h b/src/USER-NETCDF/dump_netcdf.h index b86f294d30..25d64efade 100644 --- a/src/USER-NETCDF/dump_netcdf.h +++ b/src/USER-NETCDF/dump_netcdf.h @@ -92,7 +92,6 @@ class DumpNetCDF : public DumpCustom { void closefile(); virtual void write_header(bigint); virtual void write_data(int, double *); - void write_prmtop(); virtual int modify_param(int, char **);