From fac1c40693727dc99e66862187d2901eebd67799 Mon Sep 17 00:00:00 2001 From: Panadestein Date: Fri, 4 Dec 2020 15:33:20 +0100 Subject: [PATCH] Flattened array working. --- el_nuc_el.irp.f | 8 +- jastrow | Bin 48560 -> 44064 bytes orders.irp.f | 36 +- tt | 1800 ----------------------------------------------- 4 files changed, 21 insertions(+), 1823 deletions(-) delete mode 100644 tt diff --git a/el_nuc_el.irp.f b/el_nuc_el.irp.f index 512d62f..cc609e9 100644 --- a/el_nuc_el.irp.f +++ b/el_nuc_el.irp.f @@ -45,12 +45,8 @@ BEGIN_PROVIDER [double precision, factor_een] z = b endif do l = iand(p - k, 1), lmax, 2 - ! factor_een = factor_een + cord_vect(l, k, p, alpha) * (y + z) * t - ! cidx = l + (ncord + 1) * k + (ncord + 1) * (ncord + 1) * p + & - ! (ncord + 1) * (ncord + 1) * ncord * alpha - ! here I try to use the flattened version of the array - cidx = l + 6 * k + 6 * 6 * p + 6 * 6 * 5 * alpha - print *, cidx + cidx = 1 + l + (ncord + 1) * k + (ncord + 1) * (ncord + 1) * (p - 1) + & + (ncord + 1) * (ncord + 1) * ncord * (alpha - 1) factor_een = factor_een + cord_vect(cidx) * (y + z) * t t = t * c_inv y = y * a2 diff --git a/jastrow b/jastrow index 4ed8e351004c3fba7f31df83aab3af5b39461b8f..9b5a1589134ede1d53f10209c7b849df684275e0 100755 GIT binary patch literal 44064 zcmeIb33yaR);E4T$<+uX9hE35(WpU#5DZ9=C>hfbLI=a5pn@Vz$O6%j#H6FRM@W2W z+t%o~jpMv8pE~a#>WIthAh-lk8gN5gh7pzMxO6KD;)ZK~zh5o4Z{Kuq{{QcLzUN!G zdAiT3Q>RXybE@i8-MY6r*G{Y~PjR^neWe<|GniU_u%wi#jGp@y0#IsE>soJ0|4UK# zFHimB%OR&O`&038$53zTKzZchMSfMCpfgX`$NYcgDhJacNf;ORL9gk9emyEqCgwGaN`eek~odNRA7>Vy7MAM{62?{Ua;UL*U^ zrwfe9>iuUQ^c(t+Gr13XYajGK_CcT52mQW2=!UOi<`iE|ZA7|>7%LZ< zHBF0rEn{u8>ZZo(DnBY|sc&3hqqq7gqoy~-R|5qT$xY3*jW$Yx5;i(S3XPl+EdJ_+ 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[double precision, bord_vect, (nbord)] -&BEGIN_PROVIDER [double precision, cord_vect, (ncord * ncord * ncord * nnuc)] +&BEGIN_PROVIDER [double precision, cord_vect, ((ncord + 1) * (ncord + 1) * ncord * nnuc)] implicit none -PROVIDE naord -PROVIDE nbord -PROVIDE ncord BEGIN_DOC ! Read Jastow coefficients from file (NEEDS OPTIMIZATION!) END_DOC +PROVIDE naord +PROVIDE nbord +PROVIDE ncord character(len=*), parameter :: FILE_NAME = "orders_inp" -integer :: i, fu, rc -double precision, dimension(naord + nbord + ncord * ncord * ncord * nnuc) :: allord_vect +integer :: i, fu, rc, maxord +double precision, dimension((ncord + 1) * (ncord + 1) * ncord * nnuc + naord + nbord) :: allord_vect + +maxord = (ncord + 1) * (ncord + 1) * ncord * nnuc + naord + nbord open(action='read', file=FILE_NAME, iostat=rc, newunit=fu) -do i = 1, naord + nbord + ncord * ncord * ncord * nnuc +do i = 1, maxord read(fu, *) allord_vect(i) end do @@ -74,13 +76,13 @@ END_PROVIDER ! FREE seed ! END_PROVIDER ! -BEGIN_PROVIDER [double precision, cord_vect_0, (0:ncord,0:ncord,ncord,nnuc)] - implicit none - BEGIN_DOC - ! Vector of the `c' coefficients - END_DOC - PROVIDE seed - call random_number(cord_vect_0) - cord_vect_0 = cord_vect_0 * .1d-4 - FREE seed -END_PROVIDER +! BEGIN_PROVIDER [double precision, cord_vect, (0:ncord,0:ncord,ncord,nnuc)] +! implicit none +! BEGIN_DOC +! ! Vector of the `c' coefficients +! END_DOC +! PROVIDE seed +! call random_number(cord_vect) +! cord_vect_0 = cord_vect_0 * .1d-4 +! FREE seed +! 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