Commit b9421750 authored by Daniel Wortmann's avatar Daniel Wortmann

Changed force mode not to write inp_new in xml case

parent 7a181029
......@@ -215,6 +215,17 @@ CONTAINS
banddos_temp,cell_temp,sym_temp,xcpot_temp,noco_temp,Jij_temp,oneD_temp,hybrid_temp,&
kpts_temp,noel_temp,namex_temp,relcor_temp,a1_temp,a2_temp,a3_temp,scale_temp,dtild_temp,&
input_temp%comment)
input_temp%l_f = input%l_f
input_temp%tkb = input%tkb
input_temp%delgau = input%tkb
cell_temp = cell
sym_temp = sym
vacuum_temp = vacuum
CALL rw_inp('W',atoms_new,obsolete_temp,vacuum_temp,input_temp,stars_temp,sliceplot_temp,&
banddos_temp,cell_temp,sym_temp,xcpot_temp,noco_temp,Jij_temp,oneD_temp,hybrid_temp,&
kpts_temp,noel_temp,namex_temp,relcor_temp,a1_temp,a2_temp,a3_temp,scale_temp,a3_temp(3),&
input_temp%comment)
END IF
ELSE
kpts_temp%numSpecialPoints = 1
ALLOCATE(kpts_temp%specialPoints(3,kpts_temp%numSpecialPoints))
......@@ -241,17 +252,6 @@ CONTAINS
DEALLOCATE(xmlElectronStates,xmlPrintCoreStates,xmlCoreOccs)
END IF
input_temp%l_f = input%l_f
input_temp%tkb = input%tkb
input_temp%delgau = input%tkb
cell_temp = cell
sym_temp = sym
vacuum_temp = vacuum
CALL rw_inp('W',atoms_new,obsolete_temp,vacuum_temp,input_temp,stars_temp,sliceplot_temp,&
banddos_temp,cell_temp,sym_temp,xcpot_temp,noco_temp,Jij_temp,oneD_temp,hybrid_temp,&
kpts_temp,noel_temp,namex_temp,relcor_temp,a1_temp,a2_temp,a3_temp,scale_temp,a3_temp(3),&
input_temp%comment)
END IF
RETURN
END SUBROUTINE geo
......
......@@ -823,6 +823,7 @@
END IF
!+fo
INQUIRE (file='inp_new',exist=l_endit)
IF (.NOT.l_endit) INQUIRE (file='inp_new.xml',exist=l_endit)
IF (l_endit) THEN
CALL juDFT_end(" GEO new inp created ! ",mpi%irank)
END IF
......
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