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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9848 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2013-05-08 21:12:15 +00:00
parent 7018102f9f
commit 07b41bfb6e
4 changed files with 6 additions and 3 deletions
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3
src/KSPACE/ewald.cpp
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@ -86,7 +86,8 @@ void Ewald::init()
}
// error check
triclinic_check();
if (domain->dimension == 2)
error->all(FLERR,"Cannot use Ewald with 2d simulation");

1
src/KSPACE/ewald_disp.cpp
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@ -90,6 +90,7 @@ void EwaldDisp::init()
if (logfile) fprintf(logfile,"EwaldDisp initialization ...\n");
}
triclinic_check();
if (domain->dimension == 2)
error->all(FLERR,"Cannot use EwaldDisp with 2d simulation");
if (slabflag == 0 && domain->nonperiodic > 0)

4
src/KSPACE/msm.cpp
View File

@ -126,13 +126,13 @@ void MSM::init()
// error check
triclinic_check();
if (domain->dimension == 2)
error->all(FLERR,"Cannot (yet) use MSM with 2d simulation");
if (!atom->q_flag) error->all(FLERR,"Kspace style requires atom attribute q");
if (slabflag == 1)
error->all(FLERR,"Slab correction not needed for MSM");
if (slabflag == 1) error->all(FLERR,"Slab correction not needed for MSM");
if (order < 4 || order > 10) {
char str[128];

1
src/KSPACE/pppm.cpp
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@ -171,6 +171,7 @@ void PPPM::init()
// error check
triclinic_check();
if (domain->triclinic && differentiation_flag == 1)
error->all(FLERR,"Cannot (yet) use PPPM with triclinic box "
"and kspace_modify diff a'");