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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7146 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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This commit is contained in:
sjplimp
2011-10-20 14:56:49 +00:00
parent 83b55b844c
commit ca8dfd3d7c
11 changed files with 1688 additions and 568 deletions
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12
src/atom.cpp
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@ -75,7 +75,7 @@ Atom::Atom(LAMMPS *lmp) : Pointers(lmp)
radius = rmass = NULL;
vfrac = s0 = NULL;
x0 = NULL;
ellipsoid = NULL;
ellipsoid = line = tri = NULL;
spin = NULL;
eradius = ervel = erforce = NULL;
cs = csforce = vforce = ervelforce = NULL;
@ -106,7 +106,8 @@ Atom::Atom(LAMMPS *lmp) : Pointers(lmp)
// initialize atom style and array existence flags
// customize by adding new flag
sphere_flag = ellipsoid_flag = peri_flag = electron_flag = 0;
sphere_flag = ellipsoid_flag = line_flag = tri_flag = 0;
peri_flag = electron_flag = 0;
wavepacket_flag = sph_flag = 0;
molecule_flag = q_flag = mu_flag = 0;
@ -185,6 +186,8 @@ Atom::~Atom()
memory->destroy(s0);
memory->destroy(x0);
memory->destroy(ellipsoid);
memory->destroy(line);
memory->destroy(tri);
memory->destroy(spin);
memory->destroy(eradius);
memory->destroy(ervel);
@ -259,8 +262,9 @@ void Atom::create_avec(const char *style, int narg, char **arg, char *suffix)
// may have been set by old avec
// customize by adding new flag
sphere_flag = ellipsoid_flag = peri_flag = electron_flag = 0;
sphere_flag = ellipsoid_flag = line_flag = tri_flag = 0;
peri_flag = electron_flag = 0;
molecule_flag = q_flag = mu_flag = 0;
rmass_flag = radius_flag = omega_flag = torque_flag = angmom_flag = 0;
vfrac_flag = spin_flag = eradius_flag = ervel_flag = erforce_flag = 0;