ICODE-ADC/lammps
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added functionity to lib interface

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This commit is contained in:
Steve Plimpton
2016-12-13 16:22:17 -07:00
parent fb3f597f41
commit ae5764beac
28 changed files with 386 additions and 160 deletions
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4
src/compute_gyration_chunk.cpp
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@ -28,8 +28,8 @@ using namespace LAMMPS_NS;
ComputeGyrationChunk::ComputeGyrationChunk(LAMMPS *lmp, int narg, char **arg) :
Compute(lmp, narg, arg),
idchunk(NULL), massproc(NULL), masstotal(NULL), com(NULL), comall(NULL), rg(NULL),
rgall(NULL), rgt(NULL), rgtall(NULL)
idchunk(NULL), massproc(NULL), masstotal(NULL), com(NULL), comall(NULL),
rg(NULL), rgall(NULL), rgt(NULL), rgtall(NULL)
{
if (narg < 4) error->all(FLERR,"Illegal compute gyration/chunk command");