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genapwlofr.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
genapwlofr
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use
modomp
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implicit none
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! local variables
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integer
nthd
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call
holdthd
(2,nthd)
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!$OMP PARALLEL DEFAULT(SHARED) &
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!$OMP NUM_THREADS(nthd)
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!$OMP SECTIONS
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!$OMP SECTION
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! generate the APW radial functions
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call
genapwfr
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!$OMP SECTION
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! generate the local-orbital radial functions
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call
genlofr
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!$OMP END SECTIONS
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!$OMP SECTIONS
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!$OMP SECTION
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! compute the overlap radial integrals
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call
olprad
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!$OMP SECTION
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! compute the Hamiltonian radial integrals
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call
hmlrad
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!$OMP END SECTIONS
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!$OMP END PARALLEL
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call
freethd
(nthd)
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end subroutine
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genapwfr
subroutine genapwfr
Definition
genapwfr.f90:10
genapwlofr
subroutine genapwlofr
Definition
genapwlofr.f90:7
genlofr
subroutine genlofr
Definition
genlofr.f90:10
hmlrad
subroutine hmlrad
Definition
hmlrad.f90:10
modomp
Definition
modomp.f90:6
modomp::holdthd
subroutine holdthd(nloop, nthd)
Definition
modomp.f90:78
modomp::freethd
subroutine freethd(nthd)
Definition
modomp.f90:106
olprad
subroutine olprad
Definition
olprad.f90:10
genapwlofr.f90
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