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Merge branch 'master' into USER-DPD_kokkos

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This commit is contained in:
Stan Moore
2017-08-23 15:20:56 -06:00
parent 5c985946d5 b6c93f96cf
commit cbf3646806
1033 changed files with 74799 additions and 41892 deletions
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14
src/atom.cpp
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@ -104,6 +104,11 @@ Atom::Atom(LAMMPS *lmp) : Pointers(lmp)
duChem = NULL;
dpdTheta = NULL;
// USER-MESO
cc = cc_flux = NULL;
edpd_temp = edpd_flux = edpd_cv = NULL;
// USER-SMD
contact_radius = NULL;
@ -168,7 +173,7 @@ Atom::Atom(LAMMPS *lmp) : Pointers(lmp)
cs_flag = csforce_flag = vforce_flag = etag_flag = 0;
rho_flag = e_flag = cv_flag = vest_flag = 0;
dpd_flag = 0;
dpd_flag = edpd_flag = tdpd_flag = 0;
// USER-SMD
@ -300,6 +305,12 @@ Atom::~Atom()
memory->destroy(uCGnew);
memory->destroy(duChem);
memory->destroy(cc);
memory->destroy(cc_flux);
memory->destroy(edpd_temp);
memory->destroy(edpd_flux);
memory->destroy(edpd_cv);
memory->destroy(nspecial);
memory->destroy(special);
@ -2194,6 +2205,7 @@ void *Atom::extract(char *name)
if (strcmp(name, "damage") == 0) return (void *) damage;
if (strcmp(name,"dpdTheta") == 0) return (void *) dpdTheta;
if (strcmp(name,"edpd_temp") == 0) return (void *) edpd_temp;
return NULL;
}