Searched refs:lattce_meam (Results 1 – 13 of 13) sorted by relevance
/dports/science/liggghts/LIGGGHTS-PUBLIC-3.8.0-26-g6e873439/lib/meam/ |
H A D | meam_setup_param.F | 98 lattce_meam(index(1),index(2)) = "fcc" 100 lattce_meam(index(1),index(2)) = "bcc" 102 lattce_meam(index(1),index(2)) = "hcp" 104 lattce_meam(index(1),index(2)) = "dim" 106 lattce_meam(index(1),index(2)) = "dia" 108 lattce_meam(index(1),index(2)) = 'b1' 110 lattce_meam(index(1),index(2)) = 'c11' 112 lattce_meam(index(1),index(2)) = 'l12' 114 lattce_meam(index(1),index(2)) = 'b2'
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H A D | meam_setup_global.F | 42 lattce_meam(i,i) = 'fcc' 44 lattce_meam(i,i) = 'bcc' 46 lattce_meam(i,i) = 'hcp' 48 lattce_meam(i,i) = 'dim' 50 lattce_meam(i,i) = 'dia' 72 if (lattce_meam(i,i).eq.'fcc') then 74 elseif (lattce_meam(i,i).eq.'bcc') then 76 elseif (lattce_meam(i,i).eq.'hcp') then 78 elseif (lattce_meam(i,i).eq.'dim') then 80 elseif (lattce_meam(i,i).eq.'dia') then
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H A D | meam_setup_done.F | 107 lattce_meam(i,j) = lattce_meam(j,i) 254 if (lattce_meam(a,b).eq.'b1'. 357 call get_Zij(Z12,lattce_meam(a,b)) 369 if (lattce_meam(a,b).eq.'c11') then 391 $ r,a,b,lattce_meam(a,b)) 395 if (lattce_meam(a,b).eq.'c11') then 396 latta = lattce_meam(a,a) 488 if (lattce_meam(a,b).eq.'c11') then 489 latta = lattce_meam(a,a) 500 call get_Zij(Z1nn,lattce_meam(a,a)) [all …]
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H A D | meam_data.F | 61 character*3 lattce_meam(maxelt,maxelt)
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H A D | meam_dens_final.F | 104 call get_shpfcn(shp,lattce_meam(elti,elti)) 122 call get_shpfcn(shpi,lattce_meam(elti,elti))
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H A D | meam_force.F | 359 call get_shpfcn(shpi,lattce_meam(elti,elti)) 360 call get_shpfcn(shpj,lattce_meam(eltj,eltj))
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/dports/science/lammps/lammps-stable_29Sep2021/src/MEAM/ |
H A D | meam_setup_done.cpp | 116 this->lattce_meam[i][j] = this->lattce_meam[j][i]; in alloyparams() 237 if (this->lattce_meam[a][b] == B1 || this->lattce_meam[a][b] == B2 || in compute_pair_meam() 238 this->lattce_meam[a][b] == L12 || this->lattce_meam[a][b] == DIA) { in compute_pair_meam() 255 if (this->lattce_meam[a][b] == B1 || this->lattce_meam[a][b] == B2 || in compute_pair_meam() 344 Z1 = get_Zij(this->lattce_meam[a][a]); in phi_meam() 355 if (this->lattce_meam[a][b] == C11) { in phi_meam() 380 if (this->lattce_meam[a][b] == C11) { in phi_meam() 381 latta = this->lattce_meam[a][a]; in phi_meam() 464 if (this->lattce_meam[a][b] == C11) { in phi_meam() 465 latta = this->lattce_meam[a][a]; in phi_meam() [all …]
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H A D | meam_setup_global.cpp | 48 this->lattce_meam[i][i] = lat[i]; in meam_setup_global() 66 switch(this->lattce_meam[i][i]) { in meam_setup_global()
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H A D | meam_dens_final.cpp | 70 Z = get_Zij(this->lattce_meam[elti][elti]); in meam_dens_final() 76 …get_shpfcn(this->lattce_meam[elti][elti], this->stheta_meam[elti][elti], this->ctheta_meam[elti][e… in meam_dens_final()
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H A D | meam_impl.cpp | 47 lattce_meam[i][j] = FCC; in MEAM()
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H A D | meam_setup_param.cpp | 125 this->lattce_meam[index[0]][index[1]] = vlat; in meam_setup_param()
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H A D | meam.h | 93 lattice_t lattce_meam[maxelt][maxelt]; variable
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H A D | meam_force.cpp | 308 …get_shpfcn(this->lattce_meam[elti][elti], this->stheta_meam[elti][elti], this->ctheta_meam[elti][e… in meam_force() 309 …get_shpfcn(this->lattce_meam[eltj][eltj], this->stheta_meam[elti][elti], this->ctheta_meam[elti][e… in meam_force()
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