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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@638 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2007-06-21 18:58:43 +00:00
parent 59dda9f04b
commit ff535daa9f
46 changed files with 80 additions and 54 deletions
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src/KSPACE/pppm.cpp
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@ -109,8 +109,7 @@ void PPPM::init()
error->all("Cannot (yet) use PPPM with triclinic box");
if (force->dimension == 2) error->all("Cannot use PPPM with 2d simulation");
if (atom->q == NULL)
error->all("Must use charged atom style with kspace style");
if (!atom->q_flag) error->all("Kspace style requires atom attribute q");
if (slabflag == 0 && domain->nonperiodic > 0)
error->all("Cannot use nonperiodic boundaries with PPPM");