{"action":"created","issue":{"url":"https://api.github.com/repos/libantioch/antioch/issues/103","labels_url":"https://api.github.com/repos/libantioch/antioch/issues/103/labels{/name}","comments_url":"https://api.github.com/repos/libantioch/antioch/issues/103/comments","events_url":"https://api.github.com/repos/libantioch/antioch/issues/103/events","html_url":"https://github.com/libantioch/antioch/pull/103","id":56728844,"number":103,"title":"Transport/kinetics theory","user":{"login":"SylvainPlessis","id":4761614,"avatar_url":"https://avatars.githubusercontent.com/u/4761614?v=3","gravatar_id":"","url":"https://api.github.com/users/SylvainPlessis","html_url":"https://github.com/SylvainPlessis","followers_url":"https://api.github.com/users/SylvainPlessis/followers","following_url":"https://api.github.com/users/SylvainPlessis/following{/other_user}","gists_url":"https://api.github.com/users/SylvainPlessis/gists{/gist_id}","starred_url":"https://api.github.com/users/SylvainPlessis/starred{/owner}{/repo}","subscriptions_url":"https://api.github.com/users/SylvainPlessis/subscriptions","organizations_url":"https://api.github.com/users/SylvainPlessis/orgs","repos_url":"https://api.github.com/users/SylvainPlessis/repos","events_url":"https://api.github.com/users/SylvainPlessis/events{/privacy}","received_events_url":"https://api.github.com/users/SylvainPlessis/received_events","type":"User","site_admin":false},"labels":[],"state":"open","locked":false,"assignee":null,"milestone":null,"comments":3,"created_at":"2015-02-05T20:59:43Z","updated_at":"2015-02-06T17:38:51Z","closed_at":null,"pull_request":{"url":"https://api.github.com/repos/libantioch/antioch/pulls/103","html_url":"https://github.com/libantioch/antioch/pull/103","diff_url":"https://github.com/libantioch/antioch/pull/103.diff","patch_url":"https://github.com/libantioch/antioch/pull/103.patch"},"body":"First PR changing PR #79.\r\n\r\nIt adds the files, and all the necessary arrangements for the models.  Changes are:\r\n - the tree structure has a ```src/diffusion```, a ```src/viscosity``` and a ```src/thermal_conduction``` folder(s?), models were moved appropriately\r\n - the kinetics theory models, obviously, were added, the dependencies are:\r\n     - transport species to store required value (dipole moment, Lennard-Jones values, etc)\r\n     - transport mixture to play the equivalent role of chemical mixture\r\n     - Stockmayer potential for diffusion and viscosity\r\n     - a spline, GSL here, for spline the Stockmayer potential\r\n     - the rotational relaxation for the thermal conduction\r\n     - addition of physical constants, Boltzman and others\r\n     - addition of the Debye unit for the dipole moment\r\n     - the *Cv_(vib,tr,rot)_over_R* methods in ```StatMechThermodynamics```\r\n\r\nThe tests are added also, all compiles well and nice on my computer, vectorized versions and all.\r\n\r\nThe commits are much more verbose and intelligible, much less also.  This PR is totally and absolutely backward compatible because the new things are not used yet.\r\n\r\nNext PR will be about integrating the physical models into a ```PhysicalSet``` object, with all the metaprogramming around and the parsing/building.\r\n\r\nLast one will be the actual implementation of those models in ```WilkeEvaluator```, this is where there will be the API breaks, if only because the diffusion will be included into the ```WilkeEvaluator```"},"comment":{"url":"https://api.github.com/repos/libantioch/antioch/issues/comments/73279641","html_url":"https://github.com/libantioch/antioch/pull/103#issuecomment-73279641","issue_url":"https://api.github.com/repos/libantioch/antioch/issues/103","id":73279641,"user":{"login":"roystgnr","id":2367346,"avatar_url":"https://avatars.githubusercontent.com/u/2367346?v=3","gravatar_id":"","url":"https://api.github.com/users/roystgnr","html_url":"https://github.com/roystgnr","followers_url":"https://api.github.com/users/roystgnr/followers","following_url":"https://api.github.com/users/roystgnr/following{/other_user}","gists_url":"https://api.github.com/users/roystgnr/gists{/gist_id}","starred_url":"https://api.github.com/users/roystgnr/starred{/owner}{/repo}","subscriptions_url":"https://api.github.com/users/roystgnr/subscriptions","organizations_url":"https://api.github.com/users/roystgnr/orgs","repos_url":"https://api.github.com/users/roystgnr/repos","events_url":"https://api.github.com/users/roystgnr/events{/privacy}","received_events_url":"https://api.github.com/users/roystgnr/received_events","type":"User","site_admin":false},"created_at":"2015-02-06T17:38:51Z","updated_at":"2015-02-06T17:38:51Z","body":"It'll need a couple conflicts manually patched up (and one *non*-conflict in .travis.yml - I'd like to leave the vexcl dependencies commented out, since even if we can't use it now we might be able to reenable it later) after we pull #104, but nothing difficult.\r\n\r\nI haven't looked deeply enough at the code to be sure I'm happy with the new features, but I've looked well enough to be content that you're probably not breaking any old features.  ;-)\r\n\r\nNo, wait, spoke too soon.  With VexCL and MetaPhysicL enabled I'm seeing segfaults in rotational_relaxation_vec_unit and kinetics_theory_thermal_conductivity_vec_unit - I'll see if I can figure that out."}}