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Commit 0e8ba9cb authored by Gregor Michalicek's avatar Gregor Michalicek
Browse files

Re-enable the output of an inp.xml file with noco parameters

parent 1c1d890c
......@@ -13,11 +13,12 @@ MODULE m_fleur_arguments
CHARACTER(len=200) :: values
END TYPE t_fleur_param
TYPE(t_fleur_param) :: fleur_param(no_params)=(/&
t_fleur_param(0,"-old","Generate input file for old fleur versions",""),&
t_fleur_param(0,"-explicit","write out k-point list, symmetry operations, and optional input to inp.xml",""),&
t_fleur_param(0,"-noco","write out noco parameters into inp.xml",""),&
t_fleur_param(0,"-genEnpara","generate an 'enpara' file",""),&
t_fleur_param(0,"-electronConfig","explicitely write the electron configuration into inp.xml",""),&
t_fleur_param(0,"-fast_defaults","generate more aggressive (and less stable) input parameters for faster calculations",""),&
......@@ -30,6 +30,7 @@ CONTAINS
CALL print_argument("-old")
CALL print_argument("-genEnpara")
CALL print_argument("-explicit")
CALL print_argument("-noco")
CALL print_argument("-electronConfig")
CALL print_argument("-fast_defaults")
CALL print_argument("-kpts_gw")
......@@ -122,7 +122,7 @@ SUBROUTINE w_inpXML(&
IF (PRESENT(name_opt)) name=name_opt
l_explicit = l_explicitIn.OR.l_outFile
l_nocoOpt = noco%l_noco!.OR.juDFT_was_argument("-noco")
l_nocoOpt = noco%l_noco.OR.juDFT_was_argument("-noco")
symFilename = 'sym.out'
kptGamma = l_gamma
......@@ -13,7 +13,7 @@ MODULE m_fleur_arguments
CHARACTER(len=200) :: values
END TYPE t_fleur_param
INTEGER,PARAMETER:: no_params=23
INTEGER,PARAMETER:: no_params=24
TYPE(t_fleur_param) :: fleur_param(no_params)=(/&
!Input options
t_fleur_param(0,"-toXML","Convert an old 'inp' file into the new XML format",""),&
......@@ -61,6 +61,7 @@ MODULE m_fleur_arguments
t_fleur_param(0,"-no_out","Do not open the 'out' file but write to stdout",""),&
t_fleur_param(0,"-genEnpara","Generate an 'enpara' file for the energy parameters",""),&
t_fleur_param(0,"-kpts_gw","add alternative k point set for GW in all outputs for the XML input file",""),&
t_fleur_param(0,"-noco","write out noco parameters in all outputs for inp.xml",""),&
t_fleur_param(0,"-h","Print this message",""),&
t_fleur_param(0,"-no_send","Do not send usage data","")&
!HDF density
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