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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@642 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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This commit is contained in:
sjplimp
2007-06-22 16:59:17 +00:00
parent 988a4479e8
commit cea0208207
42 changed files with 245 additions and 194 deletions
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6
src/atom.cpp
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@ -61,7 +61,7 @@ Atom::Atom(LAMMPS *lmp) : Pointers(lmp)
molecule = NULL;
q = NULL;
mu = NULL;
xphi = quat = omega = angmom = torque = NULL;
xorient = quat = omega = angmom = torque = NULL;
radius = density = rmass = vfrac = NULL;
maxspecial = 1;
@ -87,7 +87,7 @@ Atom::Atom(LAMMPS *lmp) : Pointers(lmp)
molecule_flag = 0;
q_flag = mu_flag = 0;
xphi_flag = quat_flag = omega_flag = angmom_flag = torque_flag = 0;
xorient_flag = quat_flag = omega_flag = angmom_flag = torque_flag = 0;
radius_flag = density_flag = rmass_flag = vfrac_flag = 0;
// ntype-length arrays
@ -150,7 +150,7 @@ Atom::~Atom()
memory->sfree(q);
memory->destroy_2d_double_array(mu);
memory->destroy_2d_double_array(xphi);
memory->destroy_2d_double_array(xorient);
memory->destroy_2d_double_array(quat);
memory->destroy_2d_double_array(omega);
memory->destroy_2d_double_array(angmom);