Skip to content
Snippets Groups Projects
Commit c46595ca authored by Philipp Rüssmann's avatar Philipp Rüssmann
Browse files

Finished moving exchange correlation stuff to common

parent 599b64d5
No related branches found
No related tags found
No related merge requests found
......@@ -61,6 +61,9 @@ add_executable(
source/common/gxcpt.f90
source/common/corlsd.f90
source/common/cpw91.f90
source/common/gcor91.f90
source/common/vosko.f90
source/common/exch91.f90
source/common/radial_solver_Chebychev/intcheb_cell.f90
source/common/radial_solver_Chebychev/cheb.f90
source/common/radial_solver_Chebychev/cheb2oldgrid.f90
......@@ -167,7 +170,6 @@ add_executable(
source/KKRhost/espcb.f90
source/KKRhost/etotb1.f90
source/KKRhost/ewald2d.f90
source/KKRhost/exch91.f90
source/KKRhost/findgroup.f90
source/KKRhost/force.f90
source/KKRhost/forceh.f90
......@@ -178,7 +180,6 @@ add_executable(
source/KKRhost/gaufd.f90
source/KKRhost/gauleg.f90
source/KKRhost/gaunt.f90
source/KKRhost/gcor91.f90
source/KKRhost/generalpot.f90
source/KKRhost/getbr3.f90
source/KKRhost/getclusnxyz.f90
......@@ -339,7 +340,6 @@ add_executable(
source/KKRhost/vllns.f90
source/KKRhost/vmadelblk.f90
source/KKRhost/vmul.f90
source/KKRhost/vosko.f90
source/KKRhost/vxcdrv.f90
source/KKRhost/wfmesh.f90
source/KKRhost/wftsca.f90
......
......@@ -21,6 +21,9 @@ add_executable(
source/common/gxcpt.f90
source/common/corlsd.f90
source/common/cpw91.f90
source/common/gcor91.f90
source/common/vosko.f90
source/common/exch91.f90
source/voronoi/test.f
source/KKRimp/nrtype.f90
source/KKRimp/type_gmatbulk.f90
......
......@@ -10,7 +10,7 @@
!include 'XC/corlsd.f'
!include 'XC/cpw91.f'
include 'XC/cylm02.f'
include 'XC/exch91.f'
!include 'XC/exch91.f'
!include 'XC/gcor91.f'
!include 'XC/gradr.f'
!include 'XC/gradrl.f'
......@@ -21,7 +21,7 @@
include 'XC/sphere_nogga.f'
include 'XC/spher.f'
include 'XC/trarea.f'
include 'XC/vosko.f'
!include 'XC/vosko.f'
!include 'XC/vxcgga.f'
!include 'XC/vxclm.f'
!include 'XC/vxcspo.f'
......
......@@ -32,7 +32,7 @@
use mod_vxcspo, only: vxcspo
use mod_vxclm, only: vxclm
use mod_vxcgga, only: vxcgga
use global_variables, only: lmxspd, ipand, lmpotd, irmd, ngshd, irid, nfund, lpotd
use global_variables, only: ipand, irmd, ngshd, irid, nfund
IMPLICIT NONE
! INCLUDE 'inc.p'
......@@ -153,7 +153,8 @@
VONS(:,:,:,IATOM),CELL(IATOM)%RMESH,CELL(IATOM)%DRMESHDI,CELL(IATOM)%LOGPARAMS(1), &
CELL(IATOM)%NRMAX,CELL(IATOM)%NRCUT,CELL(IATOM)%NPAN, &
KSHAPE,GAUNTSHAPE(LMAX)%GSH,GAUNTSHAPE(LMAX)%ILM,GAUNTSHAPE(LMAX)%IMAXSH,IFUNMIAT,SHAPEFUN(IATOM)%THETAS, &
YR,WTYR,IJD,LMSPIAT,THET,YLM,DYLMT1,DYLMT2, &
!YR,WTYR,IJD,LMSPIAT,THET,YLM,DYLMT1,DYLMT2, &
WTYR,IJD,LMSPIAT,THET,YLM,DYLMT1,DYLMT2, &
DYLMF1,DYLMF2,DYLMTF)!, &
!LMPOTD,2*LMAXD,LMXSPD,nrmaxd,SHAPEFUN(IATOM)%NLMSHAPED,SHAPEFUN(IATOM)%NRSHAPED,GAUNTSHAPE(LMAX)%NGSHD,&
!CELL(IATOM)%NPAND)
......
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