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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1965 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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This commit is contained in:
sjplimp
2008-07-24 20:46:29 +00:00
parent 0c081ffa4b
commit 192008e7c7
17 changed files with 1987 additions and 9 deletions
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8
src/atom.cpp
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@ -64,7 +64,8 @@ Atom::Atom(LAMMPS *lmp) : Pointers(lmp)
q = NULL;
mu = NULL;
quat = omega = angmom = torque = NULL;
radius = density = rmass = vfrac = NULL;
radius = density = rmass = vfrac = s0 = vinter = NULL;
x0 = NULL;
maxspecial = 1;
nspecial = NULL;
@ -90,7 +91,7 @@ Atom::Atom(LAMMPS *lmp) : Pointers(lmp)
molecule_flag = 0;
q_flag = mu_flag = 0;
quat_flag = omega_flag = angmom_flag = torque_flag = 0;
radius_flag = density_flag = rmass_flag = vfrac_flag = 0;
radius_flag = density_flag = rmass_flag = vfrac_flag = s0_flag = vinter_flag = 0;
// ntype-length arrays
@ -162,6 +163,9 @@ Atom::~Atom()
memory->sfree(density);
memory->sfree(rmass);
memory->sfree(vfrac);
memory->sfree(s0);
memory->sfree(vinter);
memory->destroy_2d_double_array(x0);
memory->sfree(molecule);