Commit 2bfe64ec authored by Daniel Wortmann's avatar Daniel Wortmann

Small changes to enable reading of inp.xml by inpgen2

parent eee69a96
......@@ -19,7 +19,7 @@
l_gga,noel, kmax,dtild,dvac1,lmax1,jri1,rmt1,dx1,&!optional, if l_gga and ... are present suggestions are calculated
overlap)!this is optional, if present and l_test the routine returns the overlaps and does not stop
USE m_types
USE m_types_fleurinput
USE m_sort
USE m_inv3
USE m_juDFT
......
......@@ -44,7 +44,7 @@ MODULE m_checks
SUBROUTINE check_input_switches(banddos,vacuum,noco,atoms,input)
USE m_nocoInputCheck
USE m_types
USE m_types_fleurinput
type(t_banddos),INTENT(IN)::banddos
type(t_vacuum),INTENT(IN) ::vacuum
type(t_noco),INTENT(IN) ::noco
......
......@@ -3,9 +3,9 @@ MODULE m_fleurinput_postprocess
IMPLICIT NONE
CONTAINS
SUBROUTINE fleurinput_postprocess(Cell,Sym,Atoms,Input,Noco,Vacuum,&
Banddos,Oned,Wann,Xcpot,Kpts)
Banddos,Oned,Xcpot,Kpts)
USE m_juDFT
USE m_types
USE m_types_fleurinput
use m_make_sym
USE m_chkmt
use m_make_xcpot
......@@ -21,7 +21,6 @@ CONTAINS
TYPE(t_vacuum),INTENT(INOUT)::vacuum
TYPE(t_banddos),INTENT(IN) ::banddos
TYPE(t_oneD),INTENT(INOUT) ::oneD
TYPE(t_wann),INTENT(OUT) ::wann
CLASS(t_xcpot),ALLOCATABLE,INTENT(INOUT)::xcpot
TYPE(t_kpts),INTENT(IN)::kpts
......
......@@ -13,7 +13,7 @@ CONTAINS
! Generalization of the old apws_dim routine
!*********************************************************************
USE m_boxdim
USE m_types
USE m_types_fleurinput
USE m_types_forcetheo_extended
IMPLICIT NONE
TYPE(t_kpts),INTENT(IN) :: kpts
......
......@@ -66,6 +66,7 @@ PROGRAM inpgen
CHARACTER(len=40):: kpts_str
LOGICAL :: l_exist
INTEGER :: idum
INTERFACE
FUNCTION dropDefaultEConfig() BIND(C, name="dropDefaultEconfig")
USE iso_c_binding
......@@ -96,6 +97,9 @@ PROGRAM inpgen
!not yet
call Fleurinput_read_xml(cell,sym,atoms,input,noco,vacuum,&
sliceplot=Sliceplot,banddos=Banddos,hybrid=Hybrid,oned=Oned,xcpot=Xcpot,kpts=Kpts)
Call Cell%Init(Dot_product(Atoms%Volmts(:),Atoms%Neq(:)))
call atoms%init(cell)
Call Sym%Init(Cell,Input%Film)
l_fullinput=.TRUE.
ELSEIF(judft_was_argument("-f")) THEN
!read the input
......
......@@ -130,7 +130,7 @@ CONTAINS
sliceplot,banddos,hybrid,oneD,coreSpecInput,wann,&
xcpot,forcetheo_data,kpts,enparaXML)
call fleurinput_postprocess(Cell,Sym,Atoms,Input,Noco,Vacuum,&
Banddos,Oned,Wann,Xcpot,Kpts)
Banddos,Oned,Xcpot,Kpts)
END IF
!Distribute input to all PE
CALL fleurinput_mpi_bc(Cell,Sym,Atoms,Input,Noco,Vacuum,Field,&
......
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