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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5835 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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This commit is contained in:
sjplimp
2011-03-25 21:13:51 +00:00
parent e3cf018311
commit fbb475b9cd
149 changed files with 1402 additions and 1660 deletions
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16
src/compute_temp_profile.cpp
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@ -97,9 +97,8 @@ ComputeTempProfile::ComputeTempProfile(LAMMPS *lmp, int narg, char **arg) :
nbins = nbinx*nbiny*nbinz;
if (nbins <= 0) error->all("Illegal compute temp/profile command");
vbin = memory->create_2d_double_array(nbins,ncount+1,"temp/profile:vbin");
binave = memory->create_2d_double_array(nbins,ncount+1,
"temp/profile:binave");
memory->create(vbin,nbins,ncount+1,"temp/profile:vbin");
memory->create(binave,nbins,ncount+1,"temp/profile:binave");
maxatom = 0;
bin = NULL;
@ -113,10 +112,10 @@ ComputeTempProfile::ComputeTempProfile(LAMMPS *lmp, int narg, char **arg) :
ComputeTempProfile::~ComputeTempProfile()
{
memory->destroy_2d_double_array(vbin);
memory->destroy_2d_double_array(binave);
memory->destroy(vbin);
memory->destroy(binave);
memory->sfree(bin);
memory->destroy_2d_double_array(vbiasall);
memory->destroy(vbiasall);
delete [] vector;
}
@ -280,10 +279,9 @@ void ComputeTempProfile::remove_bias_all()
int nlocal = atom->nlocal;
if (nlocal > maxbias) {
memory->destroy_2d_double_array(vbiasall);
memory->destroy(vbiasall);
maxbias = atom->nmax;
vbiasall = memory->create_2d_double_array(maxbias,3,
"temp/profile:vbiasall");
memory->create(vbiasall,maxbias,3,"temp/profile:vbiasall");
}
int ibin;