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Bringing USER-DIELECTRIC up-to-date with latest changes in upstream LAMMPS

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Trung Nguyen
2021-05-28 12:41:52 -05:00
parent 2a33e3674e
commit 454e11f7a5
15 changed files with 255 additions and 2383 deletions
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13
src/atom.cpp
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@ -197,6 +197,10 @@ Atom::Atom(LAMMPS *lmp) : Pointers(lmp)
rho = drho = esph = desph = cv = nullptr;
vest = nullptr;
// USER-DIELECTRIC package
area = ed = em = epsilon = curvature = q_unscaled = nullptr;
// end of customization section
// --------------------------------------------------------------------
@ -509,6 +513,15 @@ void Atom::peratom_create()
add_peratom("eff_plastic_strain_rate",&eff_plastic_strain_rate,DOUBLE,0);
add_peratom("damage",&damage,DOUBLE,0);
// USER-DIELECTRIC package
add_peratom("area",&area,DOUBLE,0);
add_peratom("ed",&ed,DOUBLE,0);
add_peratom("em",&em,DOUBLE,0);
add_peratom("epsilon",&epsilon,DOUBLE,0);
add_peratom("curvature",&curvature,DOUBLE,0);
add_peratom("q_unscaled",&curvature,DOUBLE,0);
// end of customization section
// --------------------------------------------------------------------
}