/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | lri_environment_methods.F | 722 lrho%nst = SUM(lrho%tvec(1:nfa)*lrii%sn(1:nfa)) 724 lrho%nst = SUM(lrho%tvec(1:nn)*lrii%sn(1:nn)) 726 lrho%lambda = (lrho%charge - lrho%nst)/lrii%nsn 732 m(1:nfa) = lrho%tvec(1:nfa) + lrho%lambda*lrii%n(1:nfa) 736 m(1:nn) = lrho%tvec(1:nn) + lrho%lambda*lrii%n(1:nn) 770 lrho%nsta = SUM(lrho%tveca(1:nfa)*lrii%sna(1:nfa)) 771 lrho%nstb = SUM(lrho%tvecb(1:nfb)*lrii%snb(1:nfb)) 772 lrho%lambdaa = (lrho%chargea - lrho%nsta)/lrii%nsna 773 lrho%lambdab = (lrho%chargeb - lrho%nstb)/lrii%nsnb 776 m(1:nfa) = lrho%tveca(1:nfa) + lrho%lambdaa*lrii%na(1:nfa) [all …]
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H A D | lri_environment_types.F | 986 lrho%nba = lrii%nba 987 lrho%nbb = lrii%nbb 988 lrho%nfa = lrii%nfa 989 lrho%nfb = lrii%nfb 991 nfa = lrho%nfa 992 nfb = lrho%nfb 995 NULLIFY (lrho%avec, lrho%tvec) 1009 NULLIFY (lrho%aveca, lrho%tveca) 1010 NULLIFY (lrho%avecb, lrho%tvecb) 1012 ALLOCATE (lrho%aveca(nfa)) [all …]
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H A D | lri_optimize_ri_basis.F | 677 TYPE(lri_rhoab_type), POINTER :: lrho local 684 NULLIFY (lrii, lriir, lri_rho, lrho, nl_iterator, pmat, soo_list) 723 lrho => lri_rho%lri_atom(iac)%lri_node(ilist)%lri_rhoab(jneighbor) 773 rhofit_sq = rhofit_sq + lrho%avec(isgfa)*lrho%avec(jsgfa) & 780 rhofit_sq = rhofit_sq + lrho%avec(nfa + ksgfb)*lrho%avec(nfa + lsgfb) & 786 rhofit_sq = rhofit_sq + 2._dp*lrho%avec(isgfa)*lrho%avec(nfa + ksgfb) & 794 rhomix = SUM(lrho%avec(1:nfa)*lrho%tvec(1:nfa)) 796 rhomix = SUM(lrho%avec(1:nn)*lrho%tvec(1:nn))
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H A D | lri_forces.F | 192 TYPE(lri_rhoab_type), POINTER :: lrho local 200 NULLIFY (atom_of_kind, lri_coef, lri_force, lrii, lri_rho, lrho, & 246 lrho => lri_rho%lri_atom(iac)%lri_node(ilist)%lri_rhoab(jneighbor) 334 st(1:nn) = MATMUL(lrii%sinv(1:nn, 1:nn), lrho%tvec(1:nn)) 347 + (lrho%charge - lrho%nst)*nsdssn(k)/(lrii%nsn*lrii%nsn) 369 ai = 2.0_dp*dfw/dab*SUM(lrho%avec(1:nn)*vint(1:nn)) 459 TYPE(lri_rhoab_type), POINTER :: lrho local 467 NULLIFY (atom_of_kind, lri_coef, lrii, lri_rho, lrho, & 512 lrho => lri_rho%lri_atom(iac)%lri_node(ilist)%lri_rhoab(jneighbor) 624 (SUM(lrho%aveca(1:nfa)*vinta(1:nfa)) + & [all …]
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | lri_environment_methods.F | 722 lrho%nst = SUM(lrho%tvec(1:nfa)*lrii%sn(1:nfa)) 724 lrho%nst = SUM(lrho%tvec(1:nn)*lrii%sn(1:nn)) 726 lrho%lambda = (lrho%charge - lrho%nst)/lrii%nsn 732 m(1:nfa) = lrho%tvec(1:nfa) + lrho%lambda*lrii%n(1:nfa) 736 m(1:nn) = lrho%tvec(1:nn) + lrho%lambda*lrii%n(1:nn) 770 lrho%nsta = SUM(lrho%tveca(1:nfa)*lrii%sna(1:nfa)) 771 lrho%nstb = SUM(lrho%tvecb(1:nfb)*lrii%snb(1:nfb)) 772 lrho%lambdaa = (lrho%chargea - lrho%nsta)/lrii%nsna 773 lrho%lambdab = (lrho%chargeb - lrho%nstb)/lrii%nsnb 776 m(1:nfa) = lrho%tveca(1:nfa) + lrho%lambdaa*lrii%na(1:nfa) [all …]
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H A D | lri_environment_types.F | 971 lrho%nba = lrii%nba 972 lrho%nbb = lrii%nbb 973 lrho%nfa = lrii%nfa 974 lrho%nfb = lrii%nfb 976 nfa = lrho%nfa 977 nfb = lrho%nfb 980 NULLIFY (lrho%avec, lrho%tvec) 994 NULLIFY (lrho%aveca, lrho%tveca) 995 NULLIFY (lrho%avecb, lrho%tvecb) 997 ALLOCATE (lrho%aveca(nfa)) [all …]
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H A D | lri_optimize_ri_basis.F | 677 TYPE(lri_rhoab_type), POINTER :: lrho local 684 NULLIFY (lrii, lriir, lri_rho, lrho, nl_iterator, pmat, soo_list) 723 lrho => lri_rho%lri_atom(iac)%lri_node(ilist)%lri_rhoab(jneighbor) 773 rhofit_sq = rhofit_sq + lrho%avec(isgfa)*lrho%avec(jsgfa) & 780 rhofit_sq = rhofit_sq + lrho%avec(nfa + ksgfb)*lrho%avec(nfa + lsgfb) & 786 rhofit_sq = rhofit_sq + 2._dp*lrho%avec(isgfa)*lrho%avec(nfa + ksgfb) & 794 rhomix = SUM(lrho%avec(1:nfa)*lrho%tvec(1:nfa)) 796 rhomix = SUM(lrho%avec(1:nn)*lrho%tvec(1:nn))
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H A D | lri_forces.F | 192 TYPE(lri_rhoab_type), POINTER :: lrho local 200 NULLIFY (atom_of_kind, lri_coef, lri_force, lrii, lri_rho, lrho, & 246 lrho => lri_rho%lri_atom(iac)%lri_node(ilist)%lri_rhoab(jneighbor) 334 st(1:nn) = MATMUL(lrii%sinv(1:nn, 1:nn), lrho%tvec(1:nn)) 347 + (lrho%charge - lrho%nst)*nsdssn(k)/(lrii%nsn*lrii%nsn) 369 ai = 2.0_dp*dfw/dab*SUM(lrho%avec(1:nn)*vint(1:nn)) 459 TYPE(lri_rhoab_type), POINTER :: lrho local 467 NULLIFY (atom_of_kind, lri_coef, lrii, lri_rho, lrho, & 512 lrho => lri_rho%lri_atom(iac)%lri_node(ilist)%lri_rhoab(jneighbor) 624 (SUM(lrho%aveca(1:nfa)*vinta(1:nfa)) + & [all …]
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/dports/math/p5-Math-Pari/pari-2.3.5/src/basemath/ |
H A D | rootpol.c | 1298 lrho = radii[k]; in logradius() 1302 radii[i] = lrho; in logradius() 1304 lrho = radii[i]; in logradius() 1306 lrho = radii[k+1]; in logradius() 1310 radii[i] = lrho; in logradius() 1312 lrho = radii[i]; in logradius() 1326 radii[i] -= lrho; in update_radius() 1408 { lrmax = lrho; j=k+1; radii[j] = lrho; } in split_2() 1410 { lrmin = lrho; i=k; radii[i] = lrho; } in split_2() 1425 { lrmax = lrho; j=k+1; radii[j] = lrho - aux; } in split_2() [all …]
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/dports/math/pari/pari-2.13.3/src/basemath/ |
H A D | rootpol.c | 1165 lrho = radii[k]; in logradius() 1169 radii[i] = lrho; in logradius() 1171 lrho = radii[i]; in logradius() 1173 lrho = radii[k+1]; in logradius() 1177 radii[i] = lrho; in logradius() 1179 lrho = radii[i]; in logradius() 1193 radii[i] -= lrho; in update_radius() 1274 { lrmax = lrho; j=k+1; radii[j] = lrho; } in split_2() 1276 { lrmin = lrho; i=k; radii[i] = lrho; } in split_2() 1291 { lrmax = lrho; j=k+1; radii[j] = lrho - aux; } in split_2() [all …]
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/dports/math/R-cran-VGAM/VGAM/R/ |
H A D | family.circular.R | 523 lrho <- as.list(substitute(lrho)) 524 erho <- link2list(lrho) 525 lrho <- attr(erho, "function.name") 564 lrho = .lrho , nameattr 607 }), list( .lmu = lmu, .lrho = lrho, 615 }, list( .lmu = lmu, .lrho = lrho, 624 }), list( .lmu = lmu, .lrho = lrho, 641 }, list( .lmu = lmu, .lrho = lrho, 650 }, list( .lmu = lmu, .lrho = lrho, 670 }), list( .lmu = lmu, .lrho = lrho, [all …]
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H A D | family.ts.R | 606 lrho = "rhobitlink", argument 661 lrho <- as.list(substitute(lrho)) 662 erho <- link2list(lrho) 663 lrho <- attr(erho, "function.name") 677 namesof("rho", lrho, earg = erho), "\n", 713 lrho = .lrho , nameattr 716 }, list( .lsmn = lsmn, .lvar = lvar, .lsdv = lsdv, .lrho = lrho, 799 }), list( .lsmn = lsmn, .lrho = lrho, .lsdv = lsdv, .lvar = lvar, 856 }), list( .lsmn = lsmn, .lrho = lrho, .lsdv = lsdv, .lvar = lvar, 935 }, list( .lsmn = lsmn, .lrho = lrho , .lsdv = lsdv, .lvar = lvar , [all …]
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H A D | family.binomial.R | 85 lrho <- as.list(substitute(lrho)) 86 erho <- link2list(lrho) 87 lrho <- attr(erho, "function.name") 131 lrho = .lrho , nameattr 133 }, list( .lmu = lmu, .lrho = lrho, 916 lrho = "rhobitlink", argument 926 lrho <- as.list(substitute(lrho)) 927 erho <- link2list(lrho) 981 lrho = .lrho , nameattr 2954 lrho <- as.list(substitute(lrho)) [all …]
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H A D | family.bivariate.R | 1218 lrho <- as.list(substitute(lrho)) 1219 erho <- link2list(lrho) 1577 lrho <- as.list(substitute(lrho)) 1578 erho <- link2list(lrho) 1685 .lrho = lrho, 1693 } , list( .lrho = lrho, 1743 } , list( .lrho = lrho, 1786 }), list( .lrho = lrho, 1794 }), list( .lrho = lrho, 4124 lrho <- as.list(substitute(lrho)) [all …]
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/dports/science/atompaw/atompaw-4.1.1.0/src/ |
H A D | excor.F90 | 491 REAL(8), ALLOCATABLE :: tmpd(:),tmpv(:),dum(:),lrho(:) local 607 allocate(dum(n),lrho(n)) 608 dum=0.d0;lrho=0 610 lrho(2:n)=dum(2:n)+2.d0*grad(2:n)/Grid%r(2:n) 611 call extrapolate(Grid,lrho); dum=0.d0 612 call libxc_getvxc(n,exci,tmpv,1,tmpd,grho=gradmag,lrho=lrho, & 621 deallocate(grad,gradmag,gxc,dgxcdr,dfxcdgbg,dum,lrho)
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/dports/math/R-cran-VGAM/VGAM/man/ |
H A D | binormalcop.Rd | 12 binormalcop(lrho = "rhobitlink", irho = NULL, imethod = 1, 18 \item{lrho, irho, imethod}{ 125 binormalcop(lrho = "identitylink"), trace = TRUE)
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H A D | cardioid.Rd | 11 lrho = extlogitlink(min = -0.5, max = 0.5), 16 \item{lmu, lrho}{
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H A D | bistudentt.Rd | 12 bistudentt(ldf = "logloglink", lrho = "rhobitlink", 19 \item{ldf, lrho, idf, irho, imethod}{
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H A D | betabinomial.Rd | 12 betabinomial(lmu = "logitlink", lrho = "logitlink", irho = NULL, imethod = 1, 18 \item{lmu, lrho}{ 164 However, try \code{lrho = "rhobitlink"}. 172 try \code{lrho = "rhobitlink"}. One day this may become the default
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H A D | binormal.Rd | 13 lrho = "rhobitlink", 24 \item{lmean1, lmean2, lsd1, lsd2, lrho}{
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H A D | inv.binomial.Rd | 11 inv.binomial(lrho = extlogitlink(min = 0.5, max = 1), 16 \item{lrho, llambda}{
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H A D | binom2.rho.Rd | 14 binom2.rho(lmu = "probitlink", lrho = "rhobitlink", imu1 = NULL, imu2 = NULL, 22 % binom2.rho(lrho = "rhobitlink", lmu = "probitlink", imu1 = NULL, imu2 = NULL,...) 30 \item{lrho}{
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/dports/math/gretl/gretl-2021d/plugin/ |
H A D | interpolate.c | 693 double lrho = -log(1/r - 1); in cl_gls_max() local 694 double *rptr = &lrho; in cl_gls_max() 706 r = logistic_cdf(lrho); in cl_gls_max() 711 double lrho = -log(1/r - 1); in cl_gls_max() local 713 err = BFGS_max(&lrho, 1, 200, 1.0e-14, in cl_gls_max() 717 r = logistic_cdf(lrho); in cl_gls_max() 718 } else if (err == E_NOCONV && lrho < -6) { in cl_gls_max() 720 fprintf(stderr, "R_MLE: stopped at lrho = %g\n", lrho); in cl_gls_max()
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/dimqm/ |
H A D | dim_grid_quadv0.F | 61 & lPmat, iPmat, lrho, irho, ldelrho, idelrho, lBmat, iBmat, 210 if (.not.MA_Push_Get(MT_Dbl,len_rho,'rho',lrho,irho))
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/dimqm/ |
H A D | dim_grid_quadv0.F | 61 & lPmat, iPmat, lrho, irho, ldelrho, idelrho, lBmat, iBmat, 210 if (.not.MA_Push_Get(MT_Dbl,len_rho,'rho',lrho,irho))
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