{"action":"created","comment":{"url":"https://api.github.com/repos/psi4/psi4/pulls/comments/179828071","pull_request_review_id":110133695,"id":179828071,"diff_hunk":"@@ -309,6 +310,26 @@ def get_dispersion_aliases():\n         'pbe0'        : {'s6': 1.000, 's8': 0.528823, 'a1': 0.007912, 'a2': 6.162326},\n         'lcwpbe'      : {'s6': 1.000, 's8': 0.906564, 'a1': 0.563761, 'a2': 3.593680},\n     },\n+    'nl': { # TODO: citations","path":"psi4/driver/qcdb/dashparam.py","position":12,"original_position":12,"commit_id":"cce68bd0415b465438266c7a9db9547fd8dfe356","original_commit_id":"cce68bd0415b465438266c7a9db9547fd8dfe356","user":{"login":"PeterKraus","id":5336995,"avatar_url":"https://avatars3.githubusercontent.com/u/5336995?v=4","gravatar_id":"","url":"https://api.github.com/users/PeterKraus","html_url":"https://github.com/PeterKraus","followers_url":"https://api.github.com/users/PeterKraus/followers","following_url":"https://api.github.com/users/PeterKraus/following{/other_user}","gists_url":"https://api.github.com/users/PeterKraus/gists{/gist_id}","starred_url":"https://api.github.com/users/PeterKraus/starred{/owner}{/repo}","subscriptions_url":"https://api.github.com/users/PeterKraus/subscriptions","organizations_url":"https://api.github.com/users/PeterKraus/orgs","repos_url":"https://api.github.com/users/PeterKraus/repos","events_url":"https://api.github.com/users/PeterKraus/events{/privacy}","received_events_url":"https://api.github.com/users/PeterKraus/received_events","type":"User","site_admin":false},"body":"I am wondering about `-rVV10`: you mentioned there is a third parameter which is the only difference between `-V` and `-rV` in eg. B97M-[r]V?","created_at":"2018-04-06T17:42:18Z","updated_at":"2018-04-06T17:42:43Z","html_url":"https://github.com/psi4/psi4/pull/914#discussion_r179828071","pull_request_url":"https://api.github.com/repos/psi4/psi4/pulls/914","author_association":"CONTRIBUTOR","_links":{"self":{"href":"https://api.github.com/repos/psi4/psi4/pulls/comments/179828071"},"html":{"href":"https://github.com/psi4/psi4/pull/914#discussion_r179828071"},"pull_request":{"href":"https://api.github.com/repos/psi4/psi4/pulls/914"}}},"pull_request":{"url":"https://api.github.com/repos/psi4/psi4/pulls/914","id":167927565,"html_url":"https://github.com/psi4/psi4/pull/914","diff_url":"https://github.com/psi4/psi4/pull/914.diff","patch_url":"https://github.com/psi4/psi4/pull/914.patch","issue_url":"https://api.github.com/repos/psi4/psi4/issues/914","number":914,"state":"open","locked":false,"title":"adding DFT-NL scheme","user":{"login":"hokru","id":1648640,"avatar_url":"https://avatars1.githubusercontent.com/u/1648640?v=4","gravatar_id":"","url":"https://api.github.com/users/hokru","html_url":"https://github.com/hokru","followers_url":"https://api.github.com/users/hokru/followers","following_url":"https://api.github.com/users/hokru/following{/other_user}","gists_url":"https://api.github.com/users/hokru/gists{/gist_id}","starred_url":"https://api.github.com/users/hokru/starred{/owner}{/repo}","subscriptions_url":"https://api.github.com/users/hokru/subscriptions","organizations_url":"https://api.github.com/users/hokru/orgs","repos_url":"https://api.github.com/users/hokru/repos","events_url":"https://api.github.com/users/hokru/events{/privacy}","received_events_url":"https://api.github.com/users/hokru/received_events","type":"User","site_admin":false},"body":"## Description\r\nDFT-NL (=non-local) adds the VV10 correlation energy to arbitrary DFT functionals using functional specific  vv10_b parameter. Conceptually similar to DFT-D. DOI: 10.1021/ct200644w\r\nRelated to my inquiry: https://github.com/psi4/psi4/issues/870\r\n\r\n\r\n* **User-Facing for Release Notes**\r\n  - [x] SCF option `DFT_VV10_B` enables and adds VV10 correlation according to DFT-NL scheme (fixed `vv10_c`, user-supplied `vv10_b`). \r\n  - [x] `DFT_VV10_C` also gives access to the C parameter.\r\n  - [x] `DFT_DISPERSION_PARAMETERS` option works for below energy() calls.\r\n  - [x] energy('_functional_-nl') set pre-defined vv10_b parameters. Recommended for most users.\r\n\r\n* **Developer notes**\r\n   * forcing pure HF with VV10  will seg. fault. (no integration grid). Only `energy('hf')` with `set DFT_VV10_B` is caught, not energy('scf') to allow custom access to the scf.\r\n\r\n  - [x] rebase+adjustment to PR https://github.com/psi4/psi4/pull/922\r\n  - [ ] figure out DSD variant and param citations\r\n  - [x] re-integrate tests\r\n\r\n## Status\r\n- [ ] Ready to 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