mhoffman / kmos

kMC on steroids: A vigorous attempt to make lattice kinetic Monte Carlo modelling easier
http://mhoffman.github.com/kmos/
GNU General Public License v3.0
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JANAF #54

Closed ghost closed 7 years ago

ghost commented 7 years ago

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 'touchinit.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_O2gas*bar*A/sqrt(2*pi*m_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 1. 2. 3. ### System information - result of `kmos version`, operating system, version, python version, possibly link to model file ``` ``` [//]: # (If you experienced crashes, segfaults please also include a stacktrace below.)