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move Force::bounds() and Force::boundsbig() to utils.

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This commit is contained in:
Axel Kohlmeyer
2020-08-29 18:23:03 -04:00
parent 3be064748d
commit fcd0b9f78f
233 changed files with 751 additions and 498 deletions
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12
src/fix_adapt.cpp
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@ -98,10 +98,10 @@ nadapt(0), id_fix_diam(NULL), id_fix_chg(NULL), adapt(NULL)
adapt[nadapt].pparam = new char[n];
adapt[nadapt].pair = NULL;
strcpy(adapt[nadapt].pparam,arg[iarg+2]);
force->bounds(FLERR,arg[iarg+3],atom->ntypes,
adapt[nadapt].ilo,adapt[nadapt].ihi);
force->bounds(FLERR,arg[iarg+4],atom->ntypes,
adapt[nadapt].jlo,adapt[nadapt].jhi);
utils::bounds(FLERR,arg[iarg+3],1,atom->ntypes,
adapt[nadapt].ilo,adapt[nadapt].ihi,error);
utils::bounds(FLERR,arg[iarg+4],1,atom->ntypes,
adapt[nadapt].jlo,adapt[nadapt].jhi,error);
if (strstr(arg[iarg+5],"v_") == arg[iarg+5]) {
n = strlen(&arg[iarg+5][2]) + 1;
adapt[nadapt].var = new char[n];
@ -120,8 +120,8 @@ nadapt(0), id_fix_diam(NULL), id_fix_chg(NULL), adapt(NULL)
adapt[nadapt].bparam = new char[n];
adapt[nadapt].bond = NULL;
strcpy(adapt[nadapt].bparam,arg[iarg+2]);
force->bounds(FLERR,arg[iarg+3],atom->nbondtypes,
adapt[nadapt].ilo,adapt[nadapt].ihi);
utils::bounds(FLERR,arg[iarg+3],1,atom->nbondtypes,
adapt[nadapt].ilo,adapt[nadapt].ihi,error);
if (strstr(arg[iarg+4],"v_") == arg[iarg+4]) {
n = strlen(&arg[iarg+4][2]) + 1;
adapt[nadapt].var = new char[n];