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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6835 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2011-08-27 20:01:42 +00:00
parent 1a4f998b04
commit 3179014485
11 changed files with 141 additions and 12 deletions
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7
src/atom.cpp
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@ -83,6 +83,10 @@ Atom::Atom(LAMMPS *lmp) : Pointers(lmp)
eradius = ervel = erforce = NULL;
cs = csforce = vforce = ervelforce = NULL;
etag = NULL;
rho = drho = NULL;
e = de = NULL;
cv = NULL;
vest = NULL;
maxspecial = 1;
nspecial = NULL;
@ -106,12 +110,13 @@ Atom::Atom(LAMMPS *lmp) : Pointers(lmp)
// customize by adding new flag
sphere_flag = ellipsoid_flag = peri_flag = electron_flag = 0;
wavepacket_flag = 0;
wavepacket_flag = sph_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;
cs_flag = csforce_flag = vforce_flag = ervelforce_flag= etag_flag = 0;
rho_flag = e_flag = cv_flag = vest_flag = 0;
// ntype-length arrays