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https://github.com/TREX-CoE/irpjast.git
synced 2024-07-03 18:06:08 +02:00
100 lines
2.0 KiB
Fortran
100 lines
2.0 KiB
Fortran
BEGIN_PROVIDER [integer, naord]
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implicit none
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BEGIN_DOC
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! Expansion order for f_en
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END_DOC
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naord = 5
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END_PROVIDER
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BEGIN_PROVIDER [integer, nbord]
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implicit none
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BEGIN_DOC
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! Expansion order for f_ee
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END_DOC
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nbord = 5
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END_PROVIDER
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BEGIN_PROVIDER [integer, ncord]
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implicit none
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BEGIN_DOC
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! Expansion order for f_een
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END_DOC
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ncord = 5
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END_PROVIDER
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BEGIN_PROVIDER [integer, dim_cord_vect]
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implicit none
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BEGIN_DOC
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! Recomputes the length of the unique C coefficients
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END_DOC
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integer :: k, p, l, lmax
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dim_cord_vect = 0
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do p = 2, ncord
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do k = 0, p - 1
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if ( k /= 0 ) then
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lmax = p - k
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else
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lmax = p - k - 2
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end if
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do l = iand(p - k, 1), lmax, 2
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dim_cord_vect = dim_cord_vect + 1
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end do
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end do
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end do
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END_PROVIDER
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BEGIN_PROVIDER [double precision, aord_vect, (naord + 1, typenuc)]
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&BEGIN_PROVIDER [double precision, bord_vect, (nbord + 1)]
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&BEGIN_PROVIDER [double precision, cord_vect, (dim_cord_vect, typenuc)]
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implicit none
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BEGIN_DOC
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! Read Jastow coefficients from file
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END_DOC
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PROVIDE naord
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PROVIDE nbord
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PROVIDE ncord
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character(len=*), parameter :: FILE_NAME = "jast_coeffs.txt"
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integer :: i, fu, rc
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open(action='read', file=FILE_NAME, iostat=rc, newunit=fu)
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read(fu, *) aord_vect
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read(fu, *) bord_vect
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read(fu, *) cord_vect
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close(fu)
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END_PROVIDER
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BEGIN_PROVIDER [ double precision, cord_vect_lkp, (0:ncord-1, 0:ncord-1, 2:ncord, typenuc) ]
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implicit none
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BEGIN_DOC
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! Creates c-tensor with right order of the indexes p, k, l
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END_DOC
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integer :: alpha, l, k, p, lmax, cindex
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cord_vect_lkp = 0.0d0
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cindex = 0
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do alpha = 1, typenuc
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do p = 2, ncord
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do k = p - 1, 0, -1
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if ( k /= 0 ) then
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lmax = p - k
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else
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lmax = p - k - 2
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end if
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do l = lmax, 0, -1
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if (iand(p - k - l, 1) == 1) cycle
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cindex = cindex + 1
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cord_vect_lkp(l, k, p, alpha) = cord_vect(cindex, alpha)
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end do
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end do
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end do
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end do
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END_PROVIDER
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