ICODE-ADC/lammps
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new USER-MESO package

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This commit is contained in:
Steve Plimpton
2017-08-18 17:33:42 -06:00
parent b11fe2eddb
commit f945d4567d
81 changed files with 8358 additions and 66 deletions
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14
src/atom.cpp
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@ -105,6 +105,11 @@ Atom::Atom(LAMMPS *lmp) : Pointers(lmp)
dpdTheta = NULL;
ssaAIR = NULL;
// USER-MESO
cc = cc_flux = NULL;
edpd_temp = edpd_flux = edpd_cv = NULL;
// USER-SMD
contact_radius = NULL;
@ -169,7 +174,7 @@ 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
@ -302,6 +307,12 @@ Atom::~Atom()
memory->destroy(duChem);
memory->destroy(ssaAIR);
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;
}