mhoffman / kmos

kMC on steroids: A vigorous attempt to make lattice kinetic Monte Carlo modelling easier

Home Page:http://mhoffman.github.com/kmos/

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JANAF

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Hi Hoffmam,
I meet the problem for 3 months, I am doing my master thesis, and Kmos is very important. Please give some suggestions, if u have time.

Expected behavior

example of AB_model. I has installed JANAF Thermochmical Tables successfully (directory called janaf_data has been created and added into python path. I see the 'touch__init__.py') . But when I run the AB_model.py, it gives the warning "could not import JANAF data, Installing JANAF Thermochemical Tables". By the way, I did all the thing under ubuntu 14.

Actual behavior

could not get the setting.py file or .so file.
`---------------------------------------------------------------------------
UserWarning Traceback (most recent call last)
in ()
----> 1 kmos.cli.main('export AB_no_diffusion.xml')

/home/jz/Documents/kmos-master/kmos/cli.pyc in main(args)
340 kmos.io.export_source(project,
341 export_dir,
--> 342 options=options)
343
344 if ((os.name == 'posix'

/home/jz/Documents/kmos-master/kmos/io.pyc in export_source(project_tree, export_dir, code_generator, options)
3096 if options is not None and options.acf:
3097 writer.write_proclist_acf(code_generator=code_generator)
-> 3098 writer.write_settings(code_generator=code_generator)
3099 project_tree.validate_model()
3100 return True

/home/jz/Documents/kmos-master/kmos/io.pyc in write_settings(self, code_generator)
2933 except Exception, e:
2934 raise UserWarning('Could not evaluate (%s)\n%s\nProcess: %s'
-> 2935 % (process.rate_constant, e, process.name))
2936 out.write(' }\n\n')
2937

UserWarning: Could not evaluate (p_O2gasbarA/sqrt(2pim_O2*umass/beta)exp(beta(E_bind_O2-mu_O2gas)*eV))

Error: Could not import JANAF data
Installing JANAF Thermochemical Tables
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^

`
//: # (Besides the text description, include any screenshot(s) that help us visualize the issue you're facing)

Steps to reproduce the issue

System information

  • result of kmos version, operating system, version, python version, possibly link to model file