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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15519 f3b2605a-c512-4ea7-a41b-209d697bcdaa
This commit is contained in:
sjplimp
2016-08-29 22:52:03 +00:00
parent 236241b100
commit 2993aec312
48 changed files with 109 additions and 135 deletions
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11
src/compute_temp_chunk.cpp
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@ -29,7 +29,9 @@ enum{TEMP,KECOM,INTERNAL};
/* ---------------------------------------------------------------------- */
ComputeTempChunk::ComputeTempChunk(LAMMPS *lmp, int narg, char **arg) :
Compute(lmp, narg, arg)
Compute(lmp, narg, arg),
which(NULL), idchunk(NULL), id_bias(NULL), sum(NULL), sumall(NULL), count(NULL),
countall(NULL), massproc(NULL), masstotal(NULL), vcm(NULL), vcmall(NULL)
{
if (narg < 4) error->all(FLERR,"Illegal compute temp/chunk command");
@ -129,12 +131,7 @@ ComputeTempChunk::ComputeTempChunk(LAMMPS *lmp, int narg, char **arg) :
nchunk = 1;
maxchunk = 0;
sum = sumall = NULL;
count = countall = NULL;
massproc = masstotal = NULL;
vcm = vcmall = NULL;
array = NULL;
if (nvalues) {
array_flag = 1;
size_array_cols = nvalues;