ICODE-ADC/lammps
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more cleanup, var name, remove screen output

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This commit is contained in:
Julien Guénolé
2017-07-11 16:17:21 +02:00
parent 690d93f763
commit 7d1a76f6a5
7 changed files with 55 additions and 62 deletions
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44
src/min.cpp
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@ -55,13 +55,13 @@ Min::Min(LAMMPS *lmp) : Pointers(lmp)
searchflag = 0;
linestyle = 1;
DELAYSTEP = 20;
DT_GROW = 1.1;
DT_SHRINK = 0.5;
ALPHA0 = 0.25;
ALPHA_SHRINK = 0.99;
TMAX = 2.0;
TMIN = 0.02;
delaystep = 20;
dt_grow = 1.1;
dt_shrink = 0.5;
alpha0 = 0.25;
alpha_shrink = 0.99;
tmax = 2.0;
tmin = 0.02;
elist_global = elist_atom = NULL;
vlist_global = vlist_atom = NULL;
@ -651,49 +651,33 @@ void Min::modify_params(int narg, char **arg)
if (iarg+2 > narg) error->all(FLERR,"Illegal min_modify command");
dmax = force->numeric(FLERR,arg[iarg+1]);
iarg += 2;
/* Wolfram
Hack: define some new parameters
DELAYSTEP 5
DT_GROW 1.1
DT_SHRINK 0.5
ALPHA0 0.1
ALPHA_SHRINK 0.99
TMAX 10.0
*/
} else if (strcmp(arg[iarg],"fire_delaystep") == 0) {
if (iarg+2 > narg) error->all(FLERR,"Illegal min_modify command");
DELAYSTEP = force->numeric(FLERR,arg[iarg+1]);
if (comm->me == 0 && screen) fprintf(screen,"DELAYSTEP: %d \n", DELAYSTEP);
delaystep = force->numeric(FLERR,arg[iarg+1]);
iarg += 2;
} else if (strcmp(arg[iarg],"fire_dt_grow") == 0) {
if (iarg+2 > narg) error->all(FLERR,"Illegal min_modify command");
DT_GROW = force->numeric(FLERR,arg[iarg+1]);
if (comm->me == 0 && screen) fprintf(screen,"DT_GROW: %.8f \n", DT_GROW);
dt_grow = force->numeric(FLERR,arg[iarg+1]);
iarg += 2;
} else if (strcmp(arg[iarg],"fire_dt_shrink") == 0) {
if (iarg+2 > narg) error->all(FLERR,"Illegal min_modify command");
DT_SHRINK = force->numeric(FLERR,arg[iarg+1]);
if (comm->me == 0 && screen) fprintf(screen,"DT_SHRINK: %.8f \n", DT_SHRINK);
dt_shrink = force->numeric(FLERR,arg[iarg+1]);
iarg += 2;
} else if (strcmp(arg[iarg],"fire_alpha0") == 0) {
if (iarg+2 > narg) error->all(FLERR,"Illegal min_modify command");
ALPHA0 = force->numeric(FLERR,arg[iarg+1]);
if (comm->me == 0 && screen) fprintf(screen,"ALPHA0: %.8f \n", ALPHA0);
alpha0 = force->numeric(FLERR,arg[iarg+1]);
iarg += 2;
} else if (strcmp(arg[iarg],"fire_alpha_shrink") == 0) {
if (iarg+2 > narg) error->all(FLERR,"Illegal min_modify command");
ALPHA_SHRINK = force->numeric(FLERR,arg[iarg+1]);
if (comm->me == 0 && screen) fprintf(screen,"ALPHA_SHRINK: %.8f \n", ALPHA_SHRINK);
alpha_shrink = force->numeric(FLERR,arg[iarg+1]);
iarg += 2;
} else if (strcmp(arg[iarg],"fire_tmax") == 0) {
if (iarg+2 > narg) error->all(FLERR,"Illegal min_modify command");
TMAX = force->numeric(FLERR,arg[iarg+1]);
if (comm->me == 0 && screen) fprintf(screen,"TMAX: %.8f \n", TMAX);
tmax = force->numeric(FLERR,arg[iarg+1]);
iarg += 2;
} else if (strcmp(arg[iarg],"fire_tmin") == 0) {
if (iarg+2 > narg) error->all(FLERR,"Illegal min_modify command");
TMAX = force->numeric(FLERR,arg[iarg+1]);
if (comm->me == 0 && screen) fprintf(screen,"TMIN: %.8f \n", TMAX);
tmin = force->numeric(FLERR,arg[iarg+1]);
iarg += 2;
} else if (strcmp(arg[iarg],"line") == 0) {
if (iarg+2 > narg) error->all(FLERR,"Illegal min_modify command");