{"action":"created","comment":{"url":"https://api.github.com/repos/mit-crpg/openmc/pulls/comments/78863676","id":78863676,"diff_hunk":"@@ -265,11 +267,31 @@ subroutine nuclide_from_hdf5(this, group_id, temperature, method, tolerance)\n                &for \" // trim(this % name) // \" at or near \" // &\n                trim(to_str(nint(temp_desired))) // \" K.\")\n         end if\n-      end do TEMP_LOOP\n+      end do\n \n     case (TEMPERATURE_INTERPOLATION)\n-      ! TODO: Get bounding temperatures\n-      call fatal_error(\"Temperature interpolation not yet implemented\")\n+      ! If temperature interpolation or multipole is selected, get a list of\n+      ! bounding temperatures for each actual temperature present in the model\n+      TEMP_LOOP: do i = 1, temperature % size()\n+        temp_desired = temperature % data(i)\n+\n+        do j = 1, size(temps_available) - 1","path":"src/nuclide_header.F90","position":31,"original_position":31,"commit_id":"309291d115d290af02d9fdc460f107154814dd2b","original_commit_id":"309291d115d290af02d9fdc460f107154814dd2b","user":{"login":"nelsonag","id":1037107,"avatar_url":"https://avatars.githubusercontent.com/u/1037107?v=3","gravatar_id":"","url":"https://api.github.com/users/nelsonag","html_url":"https://github.com/nelsonag","followers_url":"https://api.github.com/users/nelsonag/followers","following_url":"https://api.github.com/users/nelsonag/following{/other_user}","gists_url":"https://api.github.com/users/nelsonag/gists{/gist_id}","starred_url":"https://api.github.com/users/nelsonag/starred{/owner}{/repo}","subscriptions_url":"https://api.github.com/users/nelsonag/subscriptions","organizations_url":"https://api.github.com/users/nelsonag/orgs","repos_url":"https://api.github.com/users/nelsonag/repos","events_url":"https://api.github.com/users/nelsonag/events{/privacy}","received_events_url":"https://api.github.com/users/nelsonag/received_events","type":"User","site_admin":false},"body":"So what happens if the user selects the global temperature interpolation option, but provides a dataset with only one temperature (like our NNDC set)?  If the desired temperature is exactly the library temperature it should run no problem and if not, then this interpolation should fail.  Is this the actual behavior?","created_at":"2016-09-14T23:29:14Z","updated_at":"2016-09-14T23:30:14Z","html_url":"https://github.com/mit-crpg/openmc/pull/720#discussion_r78863676","pull_request_url":"https://api.github.com/repos/mit-crpg/openmc/pulls/720","_links":{"self":{"href":"https://api.github.com/repos/mit-crpg/openmc/pulls/comments/78863676"},"html":{"href":"https://github.com/mit-crpg/openmc/pull/720#discussion_r78863676"},"pull_request":{"href":"https://api.github.com/repos/mit-crpg/openmc/pulls/720"}}},"pull_request":{"url":"https://api.github.com/repos/mit-crpg/openmc/pulls/720","id":85196876,"html_url":"https://github.com/mit-crpg/openmc/pull/720","diff_url":"https://github.com/mit-crpg/openmc/pull/720.diff","patch_url":"https://github.com/mit-crpg/openmc/pull/720.patch","issue_url":"https://api.github.com/repos/mit-crpg/openmc/issues/720","number":720,"state":"open","locked":false,"title":"Implement temperature interpolation","user":{"login":"paulromano","id":743095,"avatar_url":"https://avatars.githubusercontent.com/u/743095?v=3","gravatar_id":"","url":"https://api.github.com/users/paulromano","html_url":"https://github.com/paulromano","followers_url":"https://api.github.com/users/paulromano/followers","following_url":"https://api.github.com/users/paulromano/following{/other_user}","gists_url":"https://api.github.com/users/paulromano/gists{/gist_id}","starred_url":"https://api.github.com/users/paulromano/starred{/owner}{/repo}","subscriptions_url":"https://api.github.com/users/paulromano/subscriptions","organizations_url":"https://api.github.com/users/paulromano/orgs","repos_url":"https://api.github.com/users/paulromano/repos","events_url":"https://api.github.com/users/paulromano/events{/privacy}","received_events_url":"https://api.github.com/users/paulromano/received_events","type":"User","site_admin":false},"body":"This pull request implements statistical interpolation in temperature, i.e., if cross section data is available at 600 K and 900 K and the user assigns a temperature of 700 K to a material/cell, then 2/3 of the time the 600 K data will be used and 1/3 of the time the 900 K data will be used. This is equivalent to doing a pseudomaterial approach.\r\n\r\nTo validate the capability, I've done a quick test on the Mosteller Doppler defect benchmark (reactor MOX 1.0% case), running it with temperatures of 600 K, 750 K, 900 K, and 1050 K using the endf71x/ENDF71SaB libraries from MCNP. To be clear, data is available at 600 K, 900 K, and 1200 K, so for 600 K and 900 K the nearest temperature method is used and for 750 K and 1050 K, temperature interpolation is used. I should also mention that the benchmark has some dimensions/densities dependent on temperature -- I've just linearly interpolated/extrapolated to get values at 750 K and 1050 K.\r\nThe resulting k-effective is as shown:\r\n![mosteller](https://cloud.githubusercontent.com/assets/743095/18506988/a8eb8682-7a6e-11e6-9f03-2ee2762dae91.png)\r\n\r\nFor Doppler reactivity coefficients, I get:\r\nusing 600-750 K: -2.99 +/- 0.19 pcm/K\r\nusing 750-900 K: -2.86 +/- 0.19 pcm/K\r\nusing 900-1050 K: -2.61 +/- 0.19 pcm/K\r\nThe fact that the coefficient decreases with increasing temperature seems reasonable.\r\n\r\nThere are a few miscellaneous fixes/improvements in this PR as well:\r\n- Give all `export_to_xml()` methods a `path` argument (useful for writing a script to create multiple models, as I did when reworking the Mosteller benchmark)\r\n- Fix assignment of temperature to materials\r\n- Add some derivations in documentation that were missing. Update publications list.\r\n\r\nOne last note -- I haven't changed the behavior for multipole with respect to the URR (it just chooses the first temperature). While I could have implemented interpolation in the URR when using multipole, this is probably better implemented at the same time as when we put in a fix to remove RRR pointwise data for multipole 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