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replace a few more cases of atoi()/atof() with utils::*numeric() functions

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This commit is contained in:
Axel Kohlmeyer
2021-02-21 15:09:50 -05:00
parent d5917652d4
commit 826c618aa9
4 changed files with 22 additions and 16 deletions
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12
src/kspace.cpp
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@ -564,9 +564,9 @@ void KSpace::modify_params(int narg, char **arg)
iarg += 2;
} else if (strcmp(arg[iarg],"kmax/ewald") == 0) {
if (iarg+4 > narg) error->all(FLERR,"Illegal kspace_modify command");
kx_ewald = atoi(arg[iarg+1]);
ky_ewald = atoi(arg[iarg+2]);
kz_ewald = atoi(arg[iarg+3]);
kx_ewald = utils::inumeric(FLERR,arg[iarg+1],false,lmp);
ky_ewald = utils::inumeric(FLERR,arg[iarg+2],false,lmp);
kz_ewald = utils::inumeric(FLERR,arg[iarg+3],false,lmp);
if (kx_ewald < 0 || ky_ewald < 0 || kz_ewald < 0)
error->all(FLERR,"Bad kspace_modify kmax/ewald parameter");
if (kx_ewald > 0 && ky_ewald > 0 && kz_ewald > 0)
@ -583,15 +583,15 @@ void KSpace::modify_params(int narg, char **arg)
iarg += 2;
} else if (strcmp(arg[iarg],"force/disp/real") == 0) {
if (iarg+2 > narg) error->all(FLERR,"Illegal kspace_modify command");
accuracy_real_6 = atof(arg[iarg+1]);
accuracy_real_6 = utils::numeric(FLERR,arg[iarg+1],false,lmp);
iarg += 2;
} else if (strcmp(arg[iarg],"force/disp/kspace") == 0) {
if (iarg+2 > narg) error->all(FLERR,"Illegal kspace_modify command");
accuracy_kspace_6 = atof(arg[iarg+1]);
accuracy_kspace_6 = utils::numeric(FLERR,arg[iarg+1],false,lmp);
iarg += 2;
} else if (strcmp(arg[iarg],"eigtol") == 0) {
if (iarg+2 > narg) error->all(FLERR,"Illegal kspace_modify command");
splittol = atof(arg[iarg+1]);
splittol = utils::numeric(FLERR,arg[iarg+1],false,lmp);
if (splittol >= 1.0)
error->all(FLERR,"Kspace_modify eigtol must be smaller than one");
iarg += 2;