ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

print names of restored force field styles to screen and logfile

Browse Source
This commit is contained in:
Axel Kohlmeyer
2018-03-19 18:04:08 -04:00
parent 3c94f7d5d1
commit 16054cc327
1 changed files with 42 additions and 1 deletions
Download Patch File Download Diff File Expand all files Collapse all files

43
src/read_restart.cpp
View File

@ -62,7 +62,7 @@ enum{VERSION,SMALLINT,TAGINT,BIGINT,
MULTIPROC,MPIIO,PROCSPERFILE,PERPROC,
IMAGEINT,BOUNDMIN,TIMESTEP,
ATOM_ID,ATOM_MAP_STYLE,ATOM_MAP_USER,ATOM_SORTFREQ,ATOM_SORTBIN,
COMM_MODE,COMM_CUTOFF,COMM_VEL};
COMM_MODE,COMM_CUTOFF,COMM_VEL,NO_PAIR};
#define LB_FACTOR 1.1
@ -949,30 +949,71 @@ void ReadRestart::force_fields()
force->create_pair(style,1);
delete [] style;
force->pair->read_restart(fp);
if (comm->me ==0) {
if (screen) fprintf(screen," restored pair style %s from "
"restart\n", force->pair_style);
if (logfile) fprintf(logfile," restored pair style %s from "
"restart\n", force->pair_style);
}
} else if (flag == NO_PAIR) {
style = read_string();
if (comm->me ==0) {
if (screen) fprintf(screen," pair style %s stores no "
"restart info\n", style);
if (logfile) fprintf(logfile," pair style %s stores no "
"restart info\n", style);
}
force->create_pair("none",0);
force->pair_restart = style;
} else if (flag == BOND) {
style = read_string();
force->create_bond(style,1);
delete [] style;
force->bond->read_restart(fp);
if (comm->me ==0) {
if (screen) fprintf(screen," restored bond style %s from "
"restart\n", force->bond_style);
if (logfile) fprintf(logfile," restored bond style %s from "
"restart\n", force->bond_style);
}
} else if (flag == ANGLE) {
style = read_string();
force->create_angle(style,1);
delete [] style;
force->angle->read_restart(fp);
if (comm->me ==0) {
if (screen) fprintf(screen," restored angle style %s from "
"restart\n", force->angle_style);
if (logfile) fprintf(logfile," restored angle style %s from "
"restart\n", force->angle_style);
}
} else if (flag == DIHEDRAL) {
style = read_string();
force->create_dihedral(style,1);
delete [] style;
force->dihedral->read_restart(fp);
if (comm->me ==0) {
if (screen) fprintf(screen," restored dihedral style %s from "
"restart\n", force->dihedral_style);
if (logfile) fprintf(logfile," restored dihedral style %s from "
"restart\n", force->dihedral_style);
}
} else if (flag == IMPROPER) {
style = read_string();
force->create_improper(style,1);
delete [] style;
force->improper->read_restart(fp);
if (comm->me ==0) {
if (screen) fprintf(screen," restored improper style %s from "
"restart\n", force->improper_style);
if (logfile) fprintf(logfile," restored improper style %s from "
"restart\n", force->improper_style);
}
} else error->all(FLERR,
"Invalid flag in force field section of restart file");