Skip to content
Snippets Groups Projects
Commit 76276963 authored by Philipp Rüssmann's avatar Philipp Rüssmann
Browse files

Move wfint of KKRhost to common and replace KKRimp version by common one

parent e8821571
No related branches found
No related tags found
No related merge requests found
......@@ -30,6 +30,7 @@ execute_process(COMMAND ln -s ../source/KKRhost/sprkkr_rmesh.dim .)
# the executable is built from this list of files
add_executable(
kkr.x
source/common/wfint.f90
source/common/version.F90
source/common/version_info.F90
source/common/DataTypes.f90
......@@ -340,7 +341,6 @@ add_executable(
source/KKRhost/vxcgga.f90
source/KKRhost/vxclm.f90
source/KKRhost/vxcspo.f90
source/KKRhost/wfint.f90
source/KKRhost/wfmesh.f90
source/KKRhost/wftsca.f90
source/KKRhost/wmatldau.f90
......
......@@ -6,6 +6,7 @@ add_executable(
source/common/rotatespinframe.f90
source/common/DataTypes.f90
source/common/constants.f90
source/common/wfint.f90
source/voronoi/test.f
source/KKRimp/nrtype.f90
source/KKRimp/type_gmatbulk.f90
......@@ -76,8 +77,6 @@ add_executable(
source/KKRimp/cradwf.f
source/KKRimp/wfmesh.f
source/KKRimp/zgeinv1.f
source/KKRimp/wfint0.f
source/KKRimp/wfint.f
source/KKRimp/csout.f
source/KKRimp/wftsca.f
source/KKRimp/vllns.f
......
......@@ -75,8 +75,7 @@
SUBROUTINE IRWNS(CR,DR,EFAC,QNS,VNSPLL,ICST,IPAN,IRCUT,NSRA,
+ PZLM,QZLM,PZEKDR,QZEKDR,CDER,CMAT,DDER,DMAT,
+ IRMIND,IRMD,IPAND,LMMAXD)
USE MOD_WFINT0
USE MOD_WFINT
USE MOD_WFINT, only: wfint, wfint0
USE MOD_CSINWD
IMPLICIT NONE
c-----------------------------------------------------------------------
......@@ -152,10 +151,10 @@ C ..
c---> set up integrands for i-th born approximation
IF (I.EQ.0) THEN
CALL WFINT0(CDER,DDER,QZLM,QZEKDR,PZEKDR,VNSPLL,NSRA,IRMIND,
+ IRMD,LMMAXD)
+ IRMD,LMMAXD, irmind, irmd)
ELSE
CALL WFINT(QNS,CDER,DDER,QZEKDR,PZEKDR,VNSPLL,NSRA,IRMIND,
+ IRMD,LMMAXD)
+ IRMD,LMMAXD, irmind, irmd)
END IF
c---> call integration subroutines
CALL CSINWD(CDER,CMAT,LMMAXD**2,IRMIND,IRMD,IPAN,IRCUT)
......
......@@ -5,8 +5,7 @@
+ QZLM,PZEKDR,QZEKDR,EK,ADER,AMAT,BDER,BMAT,NSRA,
+ IRMIND,IRMD,IPAND,LMMAXATOM)
USE mod_zgeinv1
USE mod_wfint0
USE mod_wfint
USE mod_wfint, only: wfint, wfint0
USE mod_csout
USE mod_csinwd
......@@ -124,10 +123,10 @@ c 1 CONTINUE
c---> set up integrands for i-th born approximation
IF (I.EQ.0) THEN
CALL WFINT0(ADER,BDER,PZLM,QZEKDR,PZEKDR,VNSPLL,NSRA,IRMIND,
+ IRMD,LMMAXATOM)
+ IRMD,LMMAXATOM, irmind, irmd)
ELSE
CALL WFINT(PNS,ADER,BDER,QZEKDR,PZEKDR,VNSPLL,NSRA,IRMIND,
+ IRMD,LMMAXATOM)
+ IRMD,LMMAXATOM, irmind, irmd)
END IF
c---> call integration subroutines
CALL CSINWD(ADER,AMAT,LMMAXATOM**2,IRMIND,IRMD,IPAN,IRCUT)
......@@ -178,10 +177,10 @@ c Volterra equation
c---> set up integrands for i-th born approximation
IF (I.EQ.0) THEN
CALL WFINT0(ADER,BDER,PZLM,QZEKDR,PZEKDR,VNSPLL,NSRA,IRMIND,
+ IRMD,LMMAXATOM)
+ IRMD,LMMAXATOM, irmind, irmd)
ELSE
CALL WFINT(PNS,ADER,BDER,QZEKDR,PZEKDR,VNSPLL,NSRA,IRMIND,
+ IRMD,LMMAXATOM)
+ IRMD,LMMAXATOM, irmind, irmd)
END IF
c---> call integration subroutines
CALL CSOUT(ADER,AMAT,LMMAXATOM**2,IRMIND,IRMD,IPAN,IRCUT)
......
File moved
File moved
File moved
0% Loading or .
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!
Please register or to comment