File tree Expand file tree Collapse file tree 4 files changed +9
-5
lines changed
documentation/source/users/arkane Expand file tree Collapse file tree 4 files changed +9
-5
lines changed Original file line number Diff line number Diff line change @@ -73,11 +73,15 @@ requirements:
7373test :
7474 source_files :
7575 - ' examples/rmg/superminimal'
76+ - ' examples/arkane/networks/n-butanol'
7677 imports :
7778 - rmgpy
79+ - arkane
7880 commands :
7981 - rmg.py examples/rmg/superminimal/input.py # [unix]
82+ - Arkane.py examples/arkane/networks/n-butanol/input.py # [unix]
8083 - python %SCRIPTS%\rmg.py examples\rmg\superminimal\input.py # [win]
84+ - python %SCRIPTS\Arkane.py examples\arkane\networks\n-butanol\input.py # [win]
8185
8286about :
8387 home : http://github.com/ReactionMechanismGenerator/RMG-Py
File renamed without changes.
Original file line number Diff line number Diff line change @@ -4,15 +4,15 @@ Running Arkane
44
55To execute an Arkane job, invoke the command ::
66
7- $ python arkane .py INPUTFILE
7+ $ python Arkane .py INPUTFILE
88
9- The absolute or relative paths to the arkane .py file as well as to the input file must be given.
9+ The absolute or relative paths to the Arkane .py file as well as to the input file must be given.
1010
1111The job will run and the results will be saved to ``output.py `` in the same
1212directory as the input file. If you wish to save the output elsewhere, use
1313the ``-o ``/``--output `` option, e.g. ::
1414
15- $ python arkane .py INPUTFILE -o OUTPUTFILE
15+ $ python Arkane .py INPUTFILE -o OUTPUTFILE
1616
1717Drawing Potential Energy Surface
1818================================
3636To view help information and all available options, use the ``-h ``/``--help ``
3737flag, e.g. ::
3838
39- $ python arkane .py -h
39+ $ python Arkane .py -h
4040
Original file line number Diff line number Diff line change @@ -189,7 +189,7 @@ def getArkaneExtensionModules():
189189 if os .path .splitext (source )[1 ] == '.pyx' :
190190 ext_modules .append (module )
191191
192- scripts = ['arkane .py' ,
192+ scripts = ['Arkane .py' ,
193193 'rmg.py' ,
194194 'scripts/checkModels.py' ,
195195 'scripts/convertFAME.py' ,
You can’t perform that action at this time.
0 commit comments