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/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dlri_environment_methods.F722 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 …]
H A Dlri_environment_types.F986 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 …]
H A Dlri_optimize_ri_basis.F677 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))
H A Dlri_forces.F192 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 …]
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dlri_environment_methods.F722 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 …]
H A Dlri_environment_types.F971 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 …]
H A Dlri_optimize_ri_basis.F677 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))
H A Dlri_forces.F192 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 …]
/dports/math/p5-Math-Pari/pari-2.3.5/src/basemath/
H A Drootpol.c1298 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 …]
/dports/math/pari/pari-2.13.3/src/basemath/
H A Drootpol.c1165 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 …]
/dports/math/R-cran-VGAM/VGAM/R/
H A Dfamily.circular.R523 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 …]
H A Dfamily.ts.R606 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 …]
H A Dfamily.binomial.R85 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 …]
H A Dfamily.bivariate.R1218 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 …]
/dports/science/atompaw/atompaw-4.1.1.0/src/
H A Dexcor.F90491 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)
/dports/math/R-cran-VGAM/VGAM/man/
H A Dbinormalcop.Rd12 binormalcop(lrho = "rhobitlink", irho = NULL, imethod = 1,
18 \item{lrho, irho, imethod}{
125 binormalcop(lrho = "identitylink"), trace = TRUE)
H A Dcardioid.Rd11 lrho = extlogitlink(min = -0.5, max = 0.5),
16 \item{lmu, lrho}{
H A Dbistudentt.Rd12 bistudentt(ldf = "logloglink", lrho = "rhobitlink",
19 \item{ldf, lrho, idf, irho, imethod}{
H A Dbetabinomial.Rd12 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
H A Dbinormal.Rd13 lrho = "rhobitlink",
24 \item{lmean1, lmean2, lsd1, lsd2, lrho}{
H A Dinv.binomial.Rd11 inv.binomial(lrho = extlogitlink(min = 0.5, max = 1),
16 \item{lrho, llambda}{
H A Dbinom2.rho.Rd14 binom2.rho(lmu = "probitlink", lrho = "rhobitlink", imu1 = NULL, imu2 = NULL,
22 % binom2.rho(lrho = "rhobitlink", lmu = "probitlink", imu1 = NULL, imu2 = NULL,...)
30 \item{lrho}{
/dports/math/gretl/gretl-2021d/plugin/
H A Dinterpolate.c693 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()
/dports/science/nwchem-data/nwchem-7.0.2-release/src/dimqm/
H A Ddim_grid_quadv0.F61 & lPmat, iPmat, lrho, irho, ldelrho, idelrho, lBmat, iBmat,
210 if (.not.MA_Push_Get(MT_Dbl,len_rho,'rho',lrho,irho))
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/dimqm/
H A Ddim_grid_quadv0.F61 & 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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