ICODE-ADC/lammps
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new Section package and start doc pages and build scripts

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This commit is contained in:
Steve Plimpton
2017-05-04 11:22:20 -06:00
parent f5cf1f1314
commit addd87c0f7
115 changed files with 4564 additions and 2516 deletions
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6
src/compute_dipole_chunk.cpp
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@ -31,10 +31,12 @@ enum { MASSCENTER, GEOMCENTER };
ComputeDipoleChunk::ComputeDipoleChunk(LAMMPS *lmp, int narg, char **arg) :
Compute(lmp, narg, arg),
idchunk(NULL), massproc(NULL), masstotal(NULL), chrgproc(NULL), chrgtotal(NULL), com(NULL),
idchunk(NULL), massproc(NULL), masstotal(NULL), chrgproc(NULL),
chrgtotal(NULL), com(NULL),
comall(NULL), dipole(NULL), dipoleall(NULL)
{
if ((narg != 4) && (narg != 5)) error->all(FLERR,"Illegal compute dipole/chunk command");
if ((narg != 4) && (narg != 5))
error->all(FLERR,"Illegal compute dipole/chunk command");
array_flag = 1;
size_array_cols = 4;