Searched refs:phi_meam (Results 1 – 3 of 3) sorted by relevance
/dports/science/liggghts/LIGGGHTS-PUBLIC-3.8.0-26-g6e873439/lib/meam/ |
H A D | meam_setup_done.F | 182 real*8, external :: phi_meam local 210 phir(j,nv2) = phi_meam(r,a,b) 229 phiaa = phi_meam(rarat,a,a) 237 $ (-Z2*scrn/Z1)**n * phi_meam(rarat*arat**n,a,a) 242 phibb = phi_meam(rarat,b,b) 288 $ (-Z2*scrn/Z1)**n * phi_meam(r*arat**n,a,b) 326 real*8 recursive function phi_meam(r,a,b)result(phi_m) 491 phiaa = phi_meam(r,a,a) 494 phibb = phi_meam(r,b,b) 498 phiaa = phi_meam(r,a,a) [all …]
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/dports/science/lammps/lammps-stable_29Sep2021/src/MEAM/ |
H A D | meam_setup_done.cpp | 224 this->phir[nv2][j] = phi_meam(r, a, b); in compute_pair_meam() 242 phiaa = phi_meam(rarat, a, a); in compute_pair_meam() 249 phibb = phi_meam(rarat, b, b); in compute_pair_meam() 319 double MEAM::phi_meam(double r, int a, int b) in phi_meam() function in MEAM 467 phiaa = phi_meam(r, a, a); in phi_meam() 470 phibb = phi_meam(r, b, b); in phi_meam() 474 phiaa = phi_meam(r, a, a); in phi_meam() 497 phiaa = phi_meam(2.0*this->stheta_meam[a][b]*r, a, a); in phi_meam() 498 phibb = phi_meam(2.0*this->stheta_meam[a][b]*r, b, b); in phi_meam() 509 phiaa = phi_meam(2.0*this->stheta_meam[a][b]*r, a, a); in phi_meam() [all …]
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H A D | meam.h | 237 double phi_meam(double, int, int);
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