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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12233 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2014-07-30 17:37:50 +00:00
parent 9d9b1ae9f1
commit e8dd5814f3
3 changed files with 4 additions and 19 deletions
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7
src/KSPACE/ewald_disp.cpp
View File

@ -173,11 +173,8 @@ void EwaldDisp::init()
error->warning(FLERR,str);
}
if (!function[1] && !function[2])
dispersionflag = 0;
if (!function[3])
dipoleflag = 0;
if (!function[1] && !function[2]) dispersionflag = 0;
if (!function[3]) dipoleflag = 0;
pair_check();

2
src/KSPACE/pair_lj_cut_tip4p_long.cpp
View File

@ -52,6 +52,8 @@ PairLJCutTIP4PLong::PairLJCutTIP4PLong(LAMMPS *lmp) :
PairLJCutCoulLong(lmp)
{
tip4pflag = 1;
ewaldflag = pppmflag = 0;
single_enable = 0;
respa_enable = 0;
writedata = 1;

14
src/kspace.cpp
View File

@ -173,7 +173,6 @@ void KSpace::pair_check()
{
if (force->pair == NULL)
error->all(FLERR,"KSpace solver requires a pair style");
if (ewaldflag && !force->pair->ewaldflag)
error->all(FLERR,"KSpace style is incompatible with Pair style");
if (pppmflag && !force->pair->pppmflag)
@ -186,19 +185,6 @@ void KSpace::pair_check()
error->all(FLERR,"KSpace style is incompatible with Pair style");
if (dipoleflag && !force->pair->dipoleflag)
error->all(FLERR,"KSpace style is incompatible with Pair style");
if (!ewaldflag && force->pair->ewaldflag)
error->all(FLERR,"KSpace style is incompatible with Pair style");
if (!pppmflag && force->pair->pppmflag)
error->all(FLERR,"KSpace style is incompatible with Pair style");
if (!msmflag && force->pair->msmflag)
error->all(FLERR,"KSpace style is incompatible with Pair style");
if (!dispersionflag && force->pair->dispersionflag)
error->all(FLERR,"KSpace style is incompatible with Pair style");
if (!tip4pflag && force->pair->tip4pflag)
error->all(FLERR,"KSpace style is incompatible with Pair style");
if (!dipoleflag && force->pair->dipoleflag)
error->all(FLERR,"KSpace style is incompatible with Pair style");
}
/* ----------------------------------------------------------------------