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rfint0.f90
Go to the documentation of this file.
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! Copyright (C) 2018 J. K. Dewhurst, S. Sharma and E. K. U. Gross.
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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
rfint0
(rf0,rfmt,rfir)
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use
modmain
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implicit none
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! arguments
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real
(8),
intent(in)
:: rf0
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real
(8),
intent(inout)
:: rfmt(npmtmax,natmtot),rfir(ngtot)
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! local variables
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integer
is,ias,nr,nri
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integer
iro,i0,i1
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real
(8) t1
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! external functions
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real
(8),
external
:: rfint
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t1=
rfint
(rfmt,rfir)
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t1=rf0-t1/
omega
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rfir(1:ngtot)=rfir(1:ngtot)+t1
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t1=t1*
y00i
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do
ias=1,natmtot
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is=
idxis
(ias)
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nr=
nrmt
(is)
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nri=
nrmti
(is)
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iro=nri+1
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i1=
lmmaxi
*(nri-1)+1
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rfmt(1:i1:
lmmaxi
,ias)=rfmt(1:i1:
lmmaxi
,ias)+t1
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i0=i1+
lmmaxi
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i1=
lmmaxo
*(nr-iro)+i0
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rfmt(i0:i1:
lmmaxo
,ias)=rfmt(i0:i1:
lmmaxo
,ias)+t1
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end do
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end subroutine
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modmain
Definition
modmain.f90:6
modmain::nrmti
integer, dimension(maxspecies) nrmti
Definition
modmain.f90:211
modmain::y00i
real(8), parameter y00i
Definition
modmain.f90:1234
modmain::nrmt
integer, dimension(maxspecies) nrmt
Definition
modmain.f90:150
modmain::lmmaxi
integer lmmaxi
Definition
modmain.f90:207
modmain::omega
real(8) omega
Definition
modmain.f90:20
modmain::idxis
integer, dimension(maxatoms *maxspecies) idxis
Definition
modmain.f90:44
modmain::lmmaxo
integer lmmaxo
Definition
modmain.f90:203
rfint0
subroutine rfint0(rf0, rfmt, rfir)
Definition
rfint0.f90:7
rfint
real(8) function rfint(rfmt, rfir)
Definition
rfint.f90:7
rfint0.f90
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