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fleur
fleur
Commits
85e3d8c1
Commit
85e3d8c1
authored
May 04, 2017
by
Gregor Michalicek
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Introduce inpgen help mode
parent
6ea5c695
Changes
4
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4 changed files
with
49 additions
and
2 deletions
+49
-2
cmake/Files_and_Targets.txt
cmake/Files_and_Targets.txt
+1
-1
inpgen/CMakeLists.txt
inpgen/CMakeLists.txt
+1
-0
inpgen/inpgen.f90
inpgen/inpgen.f90
+4
-1
inpgen/inpgen_help.f90
inpgen/inpgen_help.f90
+43
-0
No files found.
cmake/Files_and_Targets.txt
View file @
85e3d8c1
...
...
@@ -47,7 +47,7 @@ init/tetcon.f init/kvecon.f
)
set(inpgen_F90 io/xsf_io.f90
global/types.F90 global/enpara.f90 global/chkmt.f90 inpgen/inpgen.f90 inpgen/set_inp.f90 io/rw_inp.f90 juDFT/juDFT.F90
global/types.F90 global/enpara.f90 global/chkmt.f90 inpgen/inpgen.f90 inpgen/set_inp.f90 i
npgen/inpgen_help.f90 i
o/rw_inp.f90 juDFT/juDFT.F90
juDFT/info.F90 juDFT/stop.F90 juDFT/args.F90 juDFT/time.F90 juDFT/init.F90 juDFT/sysinfo.F90 io/w_inpXML.f90 init/julia.f90 global/utility.F90
init/compile_descr.F90 io/xmlOutput.F90 init/brzone2.f90)
...
...
inpgen/CMakeLists.txt
View file @
85e3d8c1
...
...
@@ -20,4 +20,5 @@ inpgen/write_struct.f
)
set
(
fleur_F90
${
fleur_F90
}
inpgen/set_inp.f90
inpgen/inpgen_help.f90
)
inpgen/inpgen.f90
View file @
85e3d8c1
...
...
@@ -23,6 +23,7 @@ PROGRAM inpgen
USE
m_writestruct
USE
m_xsf_io
,
ONLY
:
xsf_write_atoms
USE
m_types
USE
m_inpgen_help
IMPLICIT
NONE
INTEGER
natmax
,
nop48
,
nline
,
natin
,
ngen
,
i
,
j
,
bfh
...
...
@@ -53,7 +54,9 @@ PROGRAM inpgen
TYPE
(
t_sym
)
::
sym
TYPE
(
t_noco
)
::
noco
TYPE
(
t_vacuum
)
::
vacuum
CALL
inpgen_help
()
nop48
=
48
natmax
=
9999
ngen
=
0
...
...
inpgen/inpgen_help.f90
0 → 100644
View file @
85e3d8c1
!--------------------------------------------------------------------------------
! Copyright (c) 2017 Peter Grünberg Institut, Forschungszentrum Jülich, Germany
! This file is part of FLEUR and available as free software under the conditions
! of the MIT license as expressed in the LICENSE file in more detail.
!--------------------------------------------------------------------------------
MODULE
m_inpgen_help
IMPLICIT
NONE
CONTAINS
SUBROUTINE
inpgen_help
()
USE
m_compile_descr
USE
m_constants
USE
m_juDFT
IMPLICIT
NONE
CHARACTER
(
LEN
=
500
)::
infostring
PRINT
*
,
" Welcome to FLEUR - inpgen (www.flapw.de) "
PRINT
*
,
" MaX-Release 1 (www.max-centre.eu)"
IF
(
.NOT.
(
juDFT_was_argument
(
"-h"
)
.OR.
juDFT_was_argument
(
"--help"
)))
RETURN
!now print version info and help on command line arguments:
CALL
get_compile_desc_string
(
infostring
)
WRITE
(
*
,
'(a500)'
)
infostring
WRITE
(
*
,
'(a)'
)
WRITE
(
*
,
'(a)'
)
"------------------------------------------------------"
WRITE
(
*
,
'(a)'
)
"inpgen usage info:"
WRITE
(
*
,
'(a)'
)
"The following command line options are known:"
WRITE
(
*
,
'(a)'
)
""
WRITE
(
*
,
'(a)'
)
"-old : generate input files for old fleur versions"
WRITE
(
*
,
'(a)'
)
"-genEnpara : write enpara file"
WRITE
(
*
,
'(a)'
)
"-explicit : write out k-point list, symmetry operations,"
WRITE
(
*
,
'(a)'
)
" and optional input to inp.xml"
WRITE
(
*
,
'(a)'
)
"-fast_defaults : generate more aggressive (and less stable)"
WRITE
(
*
,
'(a)'
)
" input parameters for faster calculations"
WRITE
(
*
,
'(a)'
)
""
WRITE
(
*
,
'(a)'
)
"-h, --help : print this text :-)"
WRITE
(
*
,
'(a)'
)
""
WRITE
(
*
,
'(a)'
)
""
WRITE
(
*
,
'(a)'
)
"Please check the documentation on www.flapw.de for more details"
CALL
juDFT_error
(
"help was written"
)
END
SUBROUTINE
inpgen_help
END
MODULE
m_inpgen_help
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