Searched refs:I0kl (Results 1 – 2 of 2) sorted by relevance
| /dports/science/lammps/lammps-stable_29Sep2021/lib/awpmd/systems/interact/TCP/ |
| H A D | wpmd.cpp | 356 cdouble I0kl = pbc_mul(wp[s][l],wp[s][k]).integral(); // Non-diagonal elements in interaction() local
357 Y[s].set(k,l,I0kl); in interaction()
358 Oflg[s](k,l) = (norm(I0kl) > ovl_tolerance); in interaction()
412 cdouble I0kl = O[s](k,l); in interaction() local
413 cdouble dE=-h2_me*I0kl*v/2; in interaction()
434 dE=-coul_pref*(qi[i])*I0kl*cerf_div(ngkli,c); in interaction()
440 cdouble dEw=-coul_pref*qi[i]*I0kl*two_over_sqr_pi*exp(-arg*arg)*c; in interaction()
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| /dports/science/liggghts/LIGGGHTS-PUBLIC-3.8.0-26-g6e873439/lib/awpmd/systems/interact/TCP/ |
| H A D | wpmd.cpp | 356 cdouble I0kl = pbc_mul(wp[s][l],wp[s][k]).integral(); // Non-diagonal elements in interaction() local
357 Y[s].set(k,l,I0kl); in interaction()
358 Oflg[s](k,l) = (norm(I0kl) > ovl_tolerance); in interaction()
412 cdouble I0kl = O[s](k,l); in interaction() local
413 cdouble dE=-h2_me*I0kl*v/2; in interaction()
434 dE=-coul_pref*(qi[i])*I0kl*cerf_div(ngkli,c); in interaction()
440 cdouble dEw=-coul_pref*qi[i]*I0kl*two_over_sqr_pi*exp(-arg*arg)*c; in interaction()
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