/dports/science/lammps/lammps-stable_29Sep2021/lib/gpu/ |
H A D | lal_lj_cubic.cu | 36 const __global numtyp4 *restrict lj2, in k_lj_cubic() argument 88 if (rsq <= lj2[mtype].x) { in k_lj_cubic() 93 numtyp rmin = lj2[mtype].z*_RT6TWO; in k_lj_cubic() 94 t = (r - lj2[mtype].y)/rmin; in k_lj_cubic() 106 if (rsq <= lj2[mtype].x) in k_lj_cubic() 143 __local numtyp4 lj2[MAX_SHARED_TYPES*MAX_SHARED_TYPES]; in k_lj_cubic_fast() local 153 lj2[tid]=lj2_in[tid]; in k_lj_cubic_fast() 196 if (rsq <= lj2[mtype].x) { in k_lj_cubic_fast() 201 numtyp rmin = lj2[mtype].z*_RT6TWO; in k_lj_cubic_fast() 202 t = (r - lj2[mtype].y)/rmin; in k_lj_cubic_fast() [all …]
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H A D | lal_lj_cubic.cpp | 82 lj2.alloc(lj_types*lj_types,*(this->ucl_device),UCL_READ_ONLY); in init() 83 this->atom->type_pack4(ntypes,lj_types,lj2,host_write,host_cut_inner_sq, in init() 95 this->_max_bytes=lj1.row_bytes()+lj2.row_bytes()+lj3.row_bytes() in init() 107 lj2.clear(); in clear() 133 this->k_pair_sel->run(&this->atom->x, &lj1, &lj2, &lj3, &sp_lj, in loop() 140 this->k_pair.run(&this->atom->x, &lj1, &lj2, &lj3, &_lj_types, &sp_lj, in loop()
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/dports/math/fricas/fricas-1.3.7/pre-generated/src/algebra/ |
H A D | JDIFF.lsp | 96 ((|lj2| (|List| JB)) (|lc2| (|List| D)) (|resJ| (|List| JB)) 116 (COND ((NULL |lj2|) NIL) 127 (EXIT (LETT |lj2| (CDR |lj2|)))) 131 ((OR (NULL |lj2|) 148 (EXIT (LETT |lj2| (CDR |lj2|)))))))) 153 (SPADCALL (NREVERSE |resJ|) |lj2| 217 (LETT |lj2| 230 (COND ((NULL |lj2|) NIL) 236 (EXIT (LETT |lj2| (CDR |lj2|)))) 240 ((NULL (NULL |lj2|)) [all …]
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/dports/science/lammps/lammps-stable_29Sep2021/examples/python/ |
H A D | py_pot.py | 26 lj2 = coeff[1] 27 return (r6inv * (lj1*r6inv - lj2))*r2inv 56 lj2 = coeff[1] 57 return (r6inv * (lj1*r6inv - lj2))*r2inv
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/dports/science/xtb/xtb-6.4.1/src/xtb/ |
H A D | halogen.f90 | 46 real(wp) :: d2ax,rax,term,aterm,xy,d2bx,d2ab,alp,lj2 local 50 lj2=0.50_wp*a 81 exb = exb + aterm*cc*(t14-halData%dampingPar*t13**lj2) / (1.0_wp+t14) 115 t14 = (r0ax/rax)**lj2 ! (rov/r)^lj2 ; lj2 = 6 in GFN1 123 dtermlj=2.0_wp*lj2*numerator*t14*t14/(rax*denominator*denominator) 125 dtermlj=dtermlj+lj2*t14*(halData%dampingPar - 2.0_wp*t14)/(rax*denominator)
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/dports/math/jags/JAGS-4.3.0/src/modules/glm/SSparse/CHOLMOD/Core/ |
H A D | t_cholmod_change_factor.c | 39 double xlen, dj [1], ljj [1], lj2 [1] ; in TEMPLATE() local 142 lj2 [0] = ljj [0] * ljj [0] ; in TEMPLATE() 310 lj2 [0] = ljj [0] * ljj [0] ; in TEMPLATE() 311 ASSIGN_REAL (Lx, pnew, lj2, 0) ; in TEMPLATE() 420 lj2 [0] = ljj [0] * ljj [0] ; in TEMPLATE() 421 ASSIGN_REAL (Lx, p, lj2, 0) ; in TEMPLATE() 455 double ljj [1], lj2 [1] ; in TEMPLATE() local 564 lj2 [0] = ljj [0] * ljj [0] ; in TEMPLATE() 566 ASSIGN_REAL (Lx, p, lj2, 0) ; in TEMPLATE() 610 lj2 [0] = ljj [0] * ljj [0] ; in TEMPLATE() [all …]
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/dports/math/suitesparse-ldl/SuiteSparse-5.10.1/CHOLMOD/Core/ |
H A D | t_cholmod_change_factor.c | 36 double xlen, dj [1], ljj [1], lj2 [1] ; in TEMPLATE() local 139 lj2 [0] = ljj [0] * ljj [0] ; in TEMPLATE() 307 lj2 [0] = ljj [0] * ljj [0] ; in TEMPLATE() 308 ASSIGN_REAL (Lx, pnew, lj2, 0) ; in TEMPLATE() 417 lj2 [0] = ljj [0] * ljj [0] ; in TEMPLATE() 418 ASSIGN_REAL (Lx, p, lj2, 0) ; in TEMPLATE() 452 double ljj [1], lj2 [1] ; in TEMPLATE() local 561 lj2 [0] = ljj [0] * ljj [0] ; in TEMPLATE() 563 ASSIGN_REAL (Lx, p, lj2, 0) ; in TEMPLATE() 607 lj2 [0] = ljj [0] * ljj [0] ; in TEMPLATE() [all …]
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/dports/math/suitesparse-csparse/SuiteSparse-5.10.1/CHOLMOD/Core/ |
H A D | t_cholmod_change_factor.c | 36 double xlen, dj [1], ljj [1], lj2 [1] ; in TEMPLATE() local 139 lj2 [0] = ljj [0] * ljj [0] ; in TEMPLATE() 307 lj2 [0] = ljj [0] * ljj [0] ; in TEMPLATE() 308 ASSIGN_REAL (Lx, pnew, lj2, 0) ; in TEMPLATE() 417 lj2 [0] = ljj [0] * ljj [0] ; in TEMPLATE() 418 ASSIGN_REAL (Lx, p, lj2, 0) ; in TEMPLATE() 452 double ljj [1], lj2 [1] ; in TEMPLATE() local 561 lj2 [0] = ljj [0] * ljj [0] ; in TEMPLATE() 563 ASSIGN_REAL (Lx, p, lj2, 0) ; in TEMPLATE() 607 lj2 [0] = ljj [0] * ljj [0] ; in TEMPLATE() [all …]
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/dports/math/suitesparse-klu/SuiteSparse-5.10.1/CHOLMOD/Core/ |
H A D | t_cholmod_change_factor.c | 36 double xlen, dj [1], ljj [1], lj2 [1] ; in TEMPLATE() local 139 lj2 [0] = ljj [0] * ljj [0] ; in TEMPLATE() 307 lj2 [0] = ljj [0] * ljj [0] ; in TEMPLATE() 308 ASSIGN_REAL (Lx, pnew, lj2, 0) ; in TEMPLATE() 417 lj2 [0] = ljj [0] * ljj [0] ; in TEMPLATE() 418 ASSIGN_REAL (Lx, p, lj2, 0) ; in TEMPLATE() 452 double ljj [1], lj2 [1] ; in TEMPLATE() local 561 lj2 [0] = ljj [0] * ljj [0] ; in TEMPLATE() 563 ASSIGN_REAL (Lx, p, lj2, 0) ; in TEMPLATE() 607 lj2 [0] = ljj [0] * ljj [0] ; in TEMPLATE() [all …]
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/dports/math/suitesparse-btf/SuiteSparse-5.10.1/CHOLMOD/Core/ |
H A D | t_cholmod_change_factor.c | 36 double xlen, dj [1], ljj [1], lj2 [1] ; in TEMPLATE() local 139 lj2 [0] = ljj [0] * ljj [0] ; in TEMPLATE() 307 lj2 [0] = ljj [0] * ljj [0] ; in TEMPLATE() 308 ASSIGN_REAL (Lx, pnew, lj2, 0) ; in TEMPLATE() 417 lj2 [0] = ljj [0] * ljj [0] ; in TEMPLATE() 418 ASSIGN_REAL (Lx, p, lj2, 0) ; in TEMPLATE() 452 double ljj [1], lj2 [1] ; in TEMPLATE() local 561 lj2 [0] = ljj [0] * ljj [0] ; in TEMPLATE() 563 ASSIGN_REAL (Lx, p, lj2, 0) ; in TEMPLATE() 607 lj2 [0] = ljj [0] * ljj [0] ; in TEMPLATE() [all …]
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/dports/math/suitesparse-amd/SuiteSparse-5.10.1/CHOLMOD/Core/ |
H A D | t_cholmod_change_factor.c | 36 double xlen, dj [1], ljj [1], lj2 [1] ; in TEMPLATE() local 139 lj2 [0] = ljj [0] * ljj [0] ; in TEMPLATE() 307 lj2 [0] = ljj [0] * ljj [0] ; in TEMPLATE() 308 ASSIGN_REAL (Lx, pnew, lj2, 0) ; in TEMPLATE() 417 lj2 [0] = ljj [0] * ljj [0] ; in TEMPLATE() 418 ASSIGN_REAL (Lx, p, lj2, 0) ; in TEMPLATE() 452 double ljj [1], lj2 [1] ; in TEMPLATE() local 561 lj2 [0] = ljj [0] * ljj [0] ; in TEMPLATE() 563 ASSIGN_REAL (Lx, p, lj2, 0) ; in TEMPLATE() 607 lj2 [0] = ljj [0] * ljj [0] ; in TEMPLATE() [all …]
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/dports/math/suitesparse-mongoose/SuiteSparse-5.10.1/CHOLMOD/Core/ |
H A D | t_cholmod_change_factor.c | 36 double xlen, dj [1], ljj [1], lj2 [1] ; in TEMPLATE() local 139 lj2 [0] = ljj [0] * ljj [0] ; in TEMPLATE() 307 lj2 [0] = ljj [0] * ljj [0] ; in TEMPLATE() 308 ASSIGN_REAL (Lx, pnew, lj2, 0) ; in TEMPLATE() 417 lj2 [0] = ljj [0] * ljj [0] ; in TEMPLATE() 418 ASSIGN_REAL (Lx, p, lj2, 0) ; in TEMPLATE() 452 double ljj [1], lj2 [1] ; in TEMPLATE() local 561 lj2 [0] = ljj [0] * ljj [0] ; in TEMPLATE() 563 ASSIGN_REAL (Lx, p, lj2, 0) ; in TEMPLATE() 607 lj2 [0] = ljj [0] * ljj [0] ; in TEMPLATE() [all …]
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/dports/math/suitesparse-rbio/SuiteSparse-5.10.1/CHOLMOD/Core/ |
H A D | t_cholmod_change_factor.c | 36 double xlen, dj [1], ljj [1], lj2 [1] ; in TEMPLATE() local 139 lj2 [0] = ljj [0] * ljj [0] ; in TEMPLATE() 307 lj2 [0] = ljj [0] * ljj [0] ; in TEMPLATE() 308 ASSIGN_REAL (Lx, pnew, lj2, 0) ; in TEMPLATE() 417 lj2 [0] = ljj [0] * ljj [0] ; in TEMPLATE() 418 ASSIGN_REAL (Lx, p, lj2, 0) ; in TEMPLATE() 452 double ljj [1], lj2 [1] ; in TEMPLATE() local 561 lj2 [0] = ljj [0] * ljj [0] ; in TEMPLATE() 563 ASSIGN_REAL (Lx, p, lj2, 0) ; in TEMPLATE() 607 lj2 [0] = ljj [0] * ljj [0] ; in TEMPLATE() [all …]
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/dports/math/suitesparse-colamd/SuiteSparse-5.10.1/CHOLMOD/Core/ |
H A D | t_cholmod_change_factor.c | 36 double xlen, dj [1], ljj [1], lj2 [1] ; in TEMPLATE() local 139 lj2 [0] = ljj [0] * ljj [0] ; in TEMPLATE() 307 lj2 [0] = ljj [0] * ljj [0] ; in TEMPLATE() 308 ASSIGN_REAL (Lx, pnew, lj2, 0) ; in TEMPLATE() 417 lj2 [0] = ljj [0] * ljj [0] ; in TEMPLATE() 418 ASSIGN_REAL (Lx, p, lj2, 0) ; in TEMPLATE() 452 double ljj [1], lj2 [1] ; in TEMPLATE() local 561 lj2 [0] = ljj [0] * ljj [0] ; in TEMPLATE() 563 ASSIGN_REAL (Lx, p, lj2, 0) ; in TEMPLATE() 607 lj2 [0] = ljj [0] * ljj [0] ; in TEMPLATE() [all …]
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/dports/math/suitesparse-config/SuiteSparse-5.10.1/CHOLMOD/Core/ |
H A D | t_cholmod_change_factor.c | 36 double xlen, dj [1], ljj [1], lj2 [1] ; in TEMPLATE() local 139 lj2 [0] = ljj [0] * ljj [0] ; in TEMPLATE() 307 lj2 [0] = ljj [0] * ljj [0] ; in TEMPLATE() 308 ASSIGN_REAL (Lx, pnew, lj2, 0) ; in TEMPLATE() 417 lj2 [0] = ljj [0] * ljj [0] ; in TEMPLATE() 418 ASSIGN_REAL (Lx, p, lj2, 0) ; in TEMPLATE() 452 double ljj [1], lj2 [1] ; in TEMPLATE() local 561 lj2 [0] = ljj [0] * ljj [0] ; in TEMPLATE() 563 ASSIGN_REAL (Lx, p, lj2, 0) ; in TEMPLATE() 607 lj2 [0] = ljj [0] * ljj [0] ; in TEMPLATE() [all …]
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/dports/math/suitesparse-cholmod/SuiteSparse-5.10.1/CHOLMOD/Core/ |
H A D | t_cholmod_change_factor.c | 36 double xlen, dj [1], ljj [1], lj2 [1] ; in TEMPLATE() local 139 lj2 [0] = ljj [0] * ljj [0] ; in TEMPLATE() 307 lj2 [0] = ljj [0] * ljj [0] ; in TEMPLATE() 308 ASSIGN_REAL (Lx, pnew, lj2, 0) ; in TEMPLATE() 417 lj2 [0] = ljj [0] * ljj [0] ; in TEMPLATE() 418 ASSIGN_REAL (Lx, p, lj2, 0) ; in TEMPLATE() 452 double ljj [1], lj2 [1] ; in TEMPLATE() local 561 lj2 [0] = ljj [0] * ljj [0] ; in TEMPLATE() 563 ASSIGN_REAL (Lx, p, lj2, 0) ; in TEMPLATE() 607 lj2 [0] = ljj [0] * ljj [0] ; in TEMPLATE() [all …]
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/dports/math/suitesparse-ccolamd/SuiteSparse-5.10.1/CHOLMOD/Core/ |
H A D | t_cholmod_change_factor.c | 36 double xlen, dj [1], ljj [1], lj2 [1] ; in TEMPLATE() local 139 lj2 [0] = ljj [0] * ljj [0] ; in TEMPLATE() 307 lj2 [0] = ljj [0] * ljj [0] ; in TEMPLATE() 308 ASSIGN_REAL (Lx, pnew, lj2, 0) ; in TEMPLATE() 417 lj2 [0] = ljj [0] * ljj [0] ; in TEMPLATE() 418 ASSIGN_REAL (Lx, p, lj2, 0) ; in TEMPLATE() 452 double ljj [1], lj2 [1] ; in TEMPLATE() local 561 lj2 [0] = ljj [0] * ljj [0] ; in TEMPLATE() 563 ASSIGN_REAL (Lx, p, lj2, 0) ; in TEMPLATE() 607 lj2 [0] = ljj [0] * ljj [0] ; in TEMPLATE() [all …]
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/dports/math/suitesparse-umfpack/SuiteSparse-5.10.1/CHOLMOD/Core/ |
H A D | t_cholmod_change_factor.c | 36 double xlen, dj [1], ljj [1], lj2 [1] ; in TEMPLATE() local 139 lj2 [0] = ljj [0] * ljj [0] ; in TEMPLATE() 307 lj2 [0] = ljj [0] * ljj [0] ; in TEMPLATE() 308 ASSIGN_REAL (Lx, pnew, lj2, 0) ; in TEMPLATE() 417 lj2 [0] = ljj [0] * ljj [0] ; in TEMPLATE() 418 ASSIGN_REAL (Lx, p, lj2, 0) ; in TEMPLATE() 452 double ljj [1], lj2 [1] ; in TEMPLATE() local 561 lj2 [0] = ljj [0] * ljj [0] ; in TEMPLATE() 563 ASSIGN_REAL (Lx, p, lj2, 0) ; in TEMPLATE() 607 lj2 [0] = ljj [0] * ljj [0] ; in TEMPLATE() [all …]
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/dports/math/suitesparse-slip_lu/SuiteSparse-5.10.1/CHOLMOD/Core/ |
H A D | t_cholmod_change_factor.c | 36 double xlen, dj [1], ljj [1], lj2 [1] ; in TEMPLATE() local 139 lj2 [0] = ljj [0] * ljj [0] ; in TEMPLATE() 307 lj2 [0] = ljj [0] * ljj [0] ; in TEMPLATE() 308 ASSIGN_REAL (Lx, pnew, lj2, 0) ; in TEMPLATE() 417 lj2 [0] = ljj [0] * ljj [0] ; in TEMPLATE() 418 ASSIGN_REAL (Lx, p, lj2, 0) ; in TEMPLATE() 452 double ljj [1], lj2 [1] ; in TEMPLATE() local 561 lj2 [0] = ljj [0] * ljj [0] ; in TEMPLATE() 563 ASSIGN_REAL (Lx, p, lj2, 0) ; in TEMPLATE() 607 lj2 [0] = ljj [0] * ljj [0] ; in TEMPLATE() [all …]
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/dports/math/suitesparse-spqr/SuiteSparse-5.10.1/CHOLMOD/Core/ |
H A D | t_cholmod_change_factor.c | 36 double xlen, dj [1], ljj [1], lj2 [1] ; in TEMPLATE() local 139 lj2 [0] = ljj [0] * ljj [0] ; in TEMPLATE() 307 lj2 [0] = ljj [0] * ljj [0] ; in TEMPLATE() 308 ASSIGN_REAL (Lx, pnew, lj2, 0) ; in TEMPLATE() 417 lj2 [0] = ljj [0] * ljj [0] ; in TEMPLATE() 418 ASSIGN_REAL (Lx, p, lj2, 0) ; in TEMPLATE() 452 double ljj [1], lj2 [1] ; in TEMPLATE() local 561 lj2 [0] = ljj [0] * ljj [0] ; in TEMPLATE() 563 ASSIGN_REAL (Lx, p, lj2, 0) ; in TEMPLATE() 607 lj2 [0] = ljj [0] * ljj [0] ; in TEMPLATE() [all …]
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/dports/math/suitesparse-camd/SuiteSparse-5.10.1/CHOLMOD/Core/ |
H A D | t_cholmod_change_factor.c | 36 double xlen, dj [1], ljj [1], lj2 [1] ; in TEMPLATE() local 139 lj2 [0] = ljj [0] * ljj [0] ; in TEMPLATE() 307 lj2 [0] = ljj [0] * ljj [0] ; in TEMPLATE() 308 ASSIGN_REAL (Lx, pnew, lj2, 0) ; in TEMPLATE() 417 lj2 [0] = ljj [0] * ljj [0] ; in TEMPLATE() 418 ASSIGN_REAL (Lx, p, lj2, 0) ; in TEMPLATE() 452 double ljj [1], lj2 [1] ; in TEMPLATE() local 561 lj2 [0] = ljj [0] * ljj [0] ; in TEMPLATE() 563 ASSIGN_REAL (Lx, p, lj2, 0) ; in TEMPLATE() 607 lj2 [0] = ljj [0] * ljj [0] ; in TEMPLATE() [all …]
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/dports/math/suitesparse-cxsparse/SuiteSparse-5.10.1/CHOLMOD/Core/ |
H A D | t_cholmod_change_factor.c | 36 double xlen, dj [1], ljj [1], lj2 [1] ; in TEMPLATE() local 139 lj2 [0] = ljj [0] * ljj [0] ; in TEMPLATE() 307 lj2 [0] = ljj [0] * ljj [0] ; in TEMPLATE() 308 ASSIGN_REAL (Lx, pnew, lj2, 0) ; in TEMPLATE() 417 lj2 [0] = ljj [0] * ljj [0] ; in TEMPLATE() 418 ASSIGN_REAL (Lx, p, lj2, 0) ; in TEMPLATE() 452 double ljj [1], lj2 [1] ; in TEMPLATE() local 561 lj2 [0] = ljj [0] * ljj [0] ; in TEMPLATE() 563 ASSIGN_REAL (Lx, p, lj2, 0) ; in TEMPLATE() 607 lj2 [0] = ljj [0] * ljj [0] ; in TEMPLATE() [all …]
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/dports/math/suitesparse-graphblas/SuiteSparse-5.10.1/CHOLMOD/Core/ |
H A D | t_cholmod_change_factor.c | 36 double xlen, dj [1], ljj [1], lj2 [1] ; in TEMPLATE() local 139 lj2 [0] = ljj [0] * ljj [0] ; in TEMPLATE() 307 lj2 [0] = ljj [0] * ljj [0] ; in TEMPLATE() 308 ASSIGN_REAL (Lx, pnew, lj2, 0) ; in TEMPLATE() 417 lj2 [0] = ljj [0] * ljj [0] ; in TEMPLATE() 418 ASSIGN_REAL (Lx, p, lj2, 0) ; in TEMPLATE() 452 double ljj [1], lj2 [1] ; in TEMPLATE() local 561 lj2 [0] = ljj [0] * ljj [0] ; in TEMPLATE() 563 ASSIGN_REAL (Lx, p, lj2, 0) ; in TEMPLATE() 607 lj2 [0] = ljj [0] * ljj [0] ; in TEMPLATE() [all …]
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/dports/science/lammps/lammps-stable_29Sep2021/src/EXTRA-PAIR/ |
H A D | pair_lj_smooth_linear.cpp | 50 memory->destroy(lj2); in ~PairLJSmoothLinear() 107 forcelj = r6inv*(lj1[itype][jtype]*r6inv-lj2[itype][jtype]); in compute() 159 memory->create(lj2,n+1,n+1,"pair:lj2"); in allocate() 235 lj2[i][j] = 24.0 * epsilon[i][j] * pow(sigma[i][j],6.0); in init_one() 241 dljcut[i][j] = cutinv*cut6inv*(lj1[i][j]*cut6inv-lj2[i][j]); in init_one() 245 lj2[j][i] = lj2[i][j]; in init_one() 341 forcelj = r6inv*(lj1[itype][jtype]*r6inv-lj2[itype][jtype]); in single() 362 forcelj = r6inv*(lj1[itype][jtype]*r6inv-lj2[itype][jtype]); in single_hessian() 370 double d2r = factor_lj * r6inv * (13.0*lj1[itype][jtype]*r6inv - 7.0*lj2[itype][jtype])/rsq; in single_hessian()
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/dports/science/lammps/lammps-stable_29Sep2021/src/OPT/ |
H A D | pair_lj_cut_opt.cpp | 62 double cutsq,lj1,lj2,lj3,lj4,offset; in eval() member 93 a.lj2 = lj2[i+1][j+1]; in eval() 134 double forcelj = r6inv * (a.lj1*r6inv - a.lj2); in eval() 170 double forcelj = r6inv * (a.lj1*r6inv - a.lj2); in eval()
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