ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1967 f3b2605a-c512-4ea7-a41b-209d697bcdaa

Browse Source
This commit is contained in:
sjplimp
2008-07-25 14:41:48 +00:00
parent 0afdb0b938
commit cc44a57275
10 changed files with 133 additions and 107 deletions
Download Patch File Download Diff File Expand all files Collapse all files

8
src/atom.cpp
View File

@ -64,7 +64,8 @@ Atom::Atom(LAMMPS *lmp) : Pointers(lmp)
q = NULL;
mu = NULL;
quat = omega = angmom = torque = NULL;
radius = density = rmass = vfrac = s0 = vinter = NULL;
radius = density = rmass = NULL;
vfrac = s0 = NULL;
x0 = NULL;
maxspecial = 1;
@ -91,7 +92,7 @@ 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 = s0_flag = vinter_flag = 0;
radius_flag = density_flag = rmass_flag = vfrac_flag = 0;
// ntype-length arrays
@ -164,7 +165,6 @@ Atom::~Atom()
memory->sfree(rmass);
memory->sfree(vfrac);
memory->sfree(s0);
memory->sfree(vinter);
memory->destroy_2d_double_array(x0);
memory->sfree(molecule);
@ -293,7 +293,7 @@ void Atom::init()
}
/* ----------------------------------------------------------------------
return 1 if style matches atom style hybrid sub-style
return 1 if style matches atom style or hybrid sub-style
else return 0
------------------------------------------------------------------------- */