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potksu.f90
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1
2! Copyright (C) 2018 T. Mueller, J. K. Dewhurst, S. Sharma and E. K. U. Gross.
3! This file is distributed under the terms of the GNU General Public License.
4! See the file COPYING for license details.
5
6subroutine potksu
7use modmain
8use modulr
9implicit none
10! local variables
11real(8) ts0,ts1
12call timesec(ts0)
13! compute the ultra long-range Coulomb potential
14call potcoulu
15! compute the ultra long-range dipole-dipole magnetic field if required
16if (tbdipu) call bdipoleu
17! compute the ultra long-range exchange-correlation potential and fields
18call potxcu
19! reduce the external magnetic field if required
20if (reducebf < 1.d0) then
21 bfcq(:,:)=bfcq(:,:)*reducebf
22 bfcmtq(:,:,:)=bfcmtq(:,:,:)*reducebf
23end if
24call timesec(ts1)
25timepot=timepot+ts1-ts0
26end subroutine
27
subroutine bdipoleu
Definition bdipoleu.f90:7
real(8) timepot
Definition modmain.f90:1222
real(8) reducebf
Definition modmain.f90:279
logical tbdipu
Definition modulr.f90:78
complex(8), dimension(:,:), allocatable bfcq
Definition modulr.f90:70
complex(8), dimension(:,:,:), allocatable bfcmtq
Definition modulr.f90:72
subroutine potcoulu
Definition potcoulu.f90:7
subroutine potksu
Definition potksu.f90:7
subroutine potxcu
Definition potxcu.f90:7
subroutine timesec(ts)
Definition timesec.f90:10