ICODE-ADC/lammps
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1608 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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This commit is contained in:
sjplimp
2008-03-17 23:37:19 +00:00
parent 62590294d6
commit 892fb116cd
18 changed files with 617 additions and 344 deletions
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5
src/atom.cpp
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@ -63,7 +63,7 @@ Atom::Atom(LAMMPS *lmp) : Pointers(lmp)
molecule = NULL;
q = NULL;
mu = NULL;
xorient = quat = omega = angmom = torque = NULL;
quat = omega = angmom = torque = NULL;
radius = density = rmass = vfrac = NULL;
maxspecial = 1;
@ -89,7 +89,7 @@ Atom::Atom(LAMMPS *lmp) : Pointers(lmp)
molecule_flag = 0;
q_flag = mu_flag = 0;
xorient_flag = quat_flag = omega_flag = angmom_flag = torque_flag = 0;
quat_flag = omega_flag = angmom_flag = torque_flag = 0;
radius_flag = density_flag = rmass_flag = vfrac_flag = 0;
// ntype-length arrays
@ -153,7 +153,6 @@ Atom::~Atom()
memory->sfree(q);
memory->destroy_2d_double_array(mu);
memory->destroy_2d_double_array(xorient);
memory->destroy_2d_double_array(quat);
memory->destroy_2d_double_array(omega);
memory->destroy_2d_double_array(angmom);