ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

sync with Git

Browse Source 
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
Download Patch File Download Diff File Expand all files Collapse all files

7
src/compute_msd_chunk.cpp
View File

@ -28,7 +28,8 @@ using namespace LAMMPS_NS;
/* ---------------------------------------------------------------------- */
ComputeMSDChunk::ComputeMSDChunk(LAMMPS *lmp, int narg, char **arg) :
Compute(lmp, narg, arg)
Compute(lmp, narg, arg),
idchunk(NULL), id_fix(NULL), massproc(NULL), masstotal(NULL), com(NULL), comall(NULL), msd(NULL)
{
if (narg != 4) error->all(FLERR,"Illegal compute msd/chunk command");
@ -47,10 +48,6 @@ ComputeMSDChunk::ComputeMSDChunk(LAMMPS *lmp, int narg, char **arg) :
firstflag = 1;
init();
massproc = masstotal = NULL;
com = comall = NULL;
msd = NULL;
// create a new fix STORE style for reference positions
// id = compute-ID + COMPUTE_STORE, fix group = compute group
// do not know size of array at this point, just allocate 1x3 array