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/dports/science/lammps/lammps-stable_29Sep2021/lib/gpu/
H A Dlal_lj_cubic.cu36 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 …]
H A Dlal_lj_cubic.cpp82 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()
/dports/math/fricas/fricas-1.3.7/pre-generated/src/algebra/
H A DJDIFF.lsp96 ((|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 …]
/dports/science/lammps/lammps-stable_29Sep2021/examples/python/
H A Dpy_pot.py26 lj2 = coeff[1]
27 return (r6inv * (lj1*r6inv - lj2))*r2inv
56 lj2 = coeff[1]
57 return (r6inv * (lj1*r6inv - lj2))*r2inv
/dports/science/xtb/xtb-6.4.1/src/xtb/
H A Dhalogen.f9046 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)
/dports/math/jags/JAGS-4.3.0/src/modules/glm/SSparse/CHOLMOD/Core/
H A Dt_cholmod_change_factor.c39 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 …]
/dports/math/suitesparse-ldl/SuiteSparse-5.10.1/CHOLMOD/Core/
H A Dt_cholmod_change_factor.c36 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 …]
/dports/math/suitesparse-csparse/SuiteSparse-5.10.1/CHOLMOD/Core/
H A Dt_cholmod_change_factor.c36 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 …]
/dports/math/suitesparse-klu/SuiteSparse-5.10.1/CHOLMOD/Core/
H A Dt_cholmod_change_factor.c36 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 …]
/dports/math/suitesparse-btf/SuiteSparse-5.10.1/CHOLMOD/Core/
H A Dt_cholmod_change_factor.c36 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 …]
/dports/math/suitesparse-amd/SuiteSparse-5.10.1/CHOLMOD/Core/
H A Dt_cholmod_change_factor.c36 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 …]
/dports/math/suitesparse-mongoose/SuiteSparse-5.10.1/CHOLMOD/Core/
H A Dt_cholmod_change_factor.c36 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 …]
/dports/math/suitesparse-rbio/SuiteSparse-5.10.1/CHOLMOD/Core/
H A Dt_cholmod_change_factor.c36 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 …]
/dports/math/suitesparse-colamd/SuiteSparse-5.10.1/CHOLMOD/Core/
H A Dt_cholmod_change_factor.c36 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 …]
/dports/math/suitesparse-config/SuiteSparse-5.10.1/CHOLMOD/Core/
H A Dt_cholmod_change_factor.c36 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 …]
/dports/math/suitesparse-cholmod/SuiteSparse-5.10.1/CHOLMOD/Core/
H A Dt_cholmod_change_factor.c36 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 …]
/dports/math/suitesparse-ccolamd/SuiteSparse-5.10.1/CHOLMOD/Core/
H A Dt_cholmod_change_factor.c36 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 …]
/dports/math/suitesparse-umfpack/SuiteSparse-5.10.1/CHOLMOD/Core/
H A Dt_cholmod_change_factor.c36 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 …]
/dports/math/suitesparse-slip_lu/SuiteSparse-5.10.1/CHOLMOD/Core/
H A Dt_cholmod_change_factor.c36 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 …]
/dports/math/suitesparse-spqr/SuiteSparse-5.10.1/CHOLMOD/Core/
H A Dt_cholmod_change_factor.c36 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 …]
/dports/math/suitesparse-camd/SuiteSparse-5.10.1/CHOLMOD/Core/
H A Dt_cholmod_change_factor.c36 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 …]
/dports/math/suitesparse-cxsparse/SuiteSparse-5.10.1/CHOLMOD/Core/
H A Dt_cholmod_change_factor.c36 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 …]
/dports/math/suitesparse-graphblas/SuiteSparse-5.10.1/CHOLMOD/Core/
H A Dt_cholmod_change_factor.c36 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 …]
/dports/science/lammps/lammps-stable_29Sep2021/src/EXTRA-PAIR/
H A Dpair_lj_smooth_linear.cpp50 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()
/dports/science/lammps/lammps-stable_29Sep2021/src/OPT/
H A Dpair_lj_cut_opt.cpp62 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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