The Elk Code
gengclqu.f90
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! Copyright (C) 2025 Wenhan Chen, J. K. Dewhurst and S. Sharma.
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! This file is distributed under the terms of the GNU General Public License.
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! See the file COPYING for license details.
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subroutine
gengclqu
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use
modmain
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use
modulr
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implicit none
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! local variables
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integer
iq
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if
(
q0cut
>= 0.d0)
then
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! hard cut-off
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do
iq=1,
nqpt
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gclq
(iq)=merge(
fourpi
/
qc
(iq)**2,0.d0,
qc
(iq) >
q0cut
)
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end do
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else
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! Yukawa-type screening
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gclq
(1)=0.d0
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gclq
(2:
nqpt
)=
fourpi
/(
qc
(2:
nqpt
)**2+
q0cut
**2)
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end if
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end subroutine
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modmain::qc
real(8), dimension(:), allocatable qc
Definition:
modmain.f90:552
modmain::nqpt
integer nqpt
Definition:
modmain.f90:528
gengclqu
subroutine gengclqu
Definition:
gengclqu.f90:7
modmain
Definition:
modmain.f90:6
modulr::q0cut
real(8) q0cut
Definition:
modulr.f90:32
modmain::gclq
real(8), dimension(:), allocatable gclq
Definition:
modmain.f90:558
modmain::fourpi
real(8), parameter fourpi
Definition:
modmain.f90:1234
modulr
Definition:
modulr.f90:6
gengclqu.f90
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