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Commit 39ea1072 authored by Daniel Wortmann's avatar Daniel Wortmann
Browse files

Merge branch 'develop' of iffgit.fz-juelich.de:fleur/fleur into develop

parents 484dd478 85735648
......@@ -15,10 +15,11 @@ global/vacudz.f
set(fleur_F90 ${fleur_F90}
......@@ -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,"-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",""),&
t_fleur_param(0,"-h","print this help message","")&
......@@ -17,7 +17,7 @@ CONTAINS
PRINT *," Welcome to FLEUR - inpgen (www.flapw.de) "
PRINT *," MaX-Release 2.1 (www.max-centre.eu)"
IF (.NOT. (juDFT_was_argument("-h").OR.juDFT_was_argument("--help"))) RETURN
IF (.NOT. juDFT_was_argument("-h")) RETURN
!now print version info and help on command line arguments:
CALL get_compile_desc_string(infostring)
......@@ -13,15 +13,11 @@ MODULE m_fleur_arguments
CHARACTER(len=200) :: values
END TYPE t_fleur_param
#ifdef CPP_HDF
INTEGER,PARAMETER:: no_params=21
INTEGER,PARAMETER:: no_params=17
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",""),&
t_fleur_param(1,"-xmlXpath","modify the xml-xpath of the inp.xml file",""),&
t_fleur_param(1,"-xmlXPath","modify the xml-xpath of the inp.xml file",""),&
!Control the job
t_fleur_param(0,"-check","run in check mode, i.e. stop after init",""),&
t_fleur_param(0,"-info","Print out information on recommended parallelization and available charge densities",""),&
......@@ -57,16 +53,14 @@ MODULE m_fleur_arguments
t_fleur_param(0,"-debugtime","Write the start/stop of all timers to the console",""),&
t_fleur_param(0,"-no_out","Do not open the 'out' file but write to stdout",""),&
t_fleur_param(0,"-gen_enpara","Generate an 'enpara' file for the energy parameters",""),&
t_fleur_param(0,"-genEnpara","Generate an 'enpara' file for the energy parameters",""),&
t_fleur_param(0,"-h","Print this message",""),&
t_fleur_param(0,"-no_send","Do not send usage data","")&
!HDF density
#ifdef CPP_HDF
,t_fleur_param(0,"-no_cdn_hdf","Disable HDF charge density mode (activated by default if HDF5 is available)","")&
,t_fleur_param(0,"-last_extra","Generate an additional file cdn_last.hdf that contains only the last density","")&
,t_fleur_param(2,"-sd","use starting density N, where N is the index of the density according to -info","")&
,t_fleur_param(1,"-delden","delete densities (either an index N, a range N-M or the keyword 'allbutlast' should be given)","")&
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