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This commit is contained in:
Axel Kohlmeyer
2021-08-21 15:18:28 -04:00
parent ad5cc694dc
commit 2afa00ae66
2 changed files with 2 additions and 4 deletions
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3
src/KSPACE/ewald_disp.cpp
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@ -174,8 +174,7 @@ void EwaldDisp::init()
case 6:
if (ewald_mix==Pair::GEOMETRIC) { k = 1; break; }
else if (ewald_mix==Pair::ARITHMETIC) { k = 2; break; }
error->all(FLERR,
"Unsupported mixing rule in kspace_style ewald/disp");
error->all(FLERR,"Unsupported mixing rule in kspace_style ewald/disp");
break;
default:
error->all(FLERR,"Unsupported order in kspace_style ewald/disp");

3
src/KSPACE/pair_lj_long_coul_long.cpp
View File

@ -96,8 +96,7 @@ void PairLJLongCoulLong::settings(int narg, char **arg)
if (!((ewald_order^ewald_off) & (1<<6)))
dispersionflag = 0;
if (!((ewald_order^ewald_off) & (1<<1)))
error->all(FLERR,
"Coulomb cut not supported in pair_style lj/long/coul/long");
error->all(FLERR,"Coulomb cut not supported in pair_style lj/long/coul/long");
cut_lj_global = utils::numeric(FLERR,*(arg++),false,lmp);
if (narg == 4 && ((ewald_order & 0x42) == 0x42))
error->all(FLERR,"Only one cutoff allowed when requesting all long");