[{"checksums" {"LICENSE" "731a8eff333b8f7053ab2220511b524c87a75923" "Makefile" "611f4409c90c9e358f9cc126c6e5469e50739f7b" "kimspec.edn" "ae41591b1b6f41df3db911ce03925a178e78e578" "pipeline.stdin.tpl" "dcea8adbb6d337d26b3868e21fb09170e1564475" "requirements.txt" "d9d459dcf2ccac2b51685309aa2236e8bf704221" "results.edn.tpl" "31f0bbc6e4908c56ca5c1414de7a71054e5d9dec" "runner" "f856b2f2a423e8900f53bebabc7c244d193112a2"} "comments" "add 'matching-models' field to runners and 'run-compatibility' to SMs kimspec.edn" "event-type" "admin-update" "extended-id" "DimerContinuityC1__VC_303890932454_005" "timestamp" "2023-11-28 11:05:50" "user-id" "66443d60-a76c-472c-987e-dd80fde07aae"} {"checksums" {"LICENSE" "731a8eff333b8f7053ab2220511b524c87a75923" "Makefile" "611f4409c90c9e358f9cc126c6e5469e50739f7b" "kimspec.edn" "8d27df075ca0df017a27954767040c1b4c301167" "pipeline.stdin.tpl" "dcea8adbb6d337d26b3868e21fb09170e1564475" "requirements.txt" "d9d459dcf2ccac2b51685309aa2236e8bf704221" "results.edn.tpl" "31f0bbc6e4908c56ca5c1414de7a71054e5d9dec" "runner" "f856b2f2a423e8900f53bebabc7c244d193112a2"} "comments" "Incorporated Eric's fixes to make the VC run at all and not raise deprecation warnings. \nRefactored the Energy Extrema section that finds the equilibrium and cutoff to treat all failures equivalently. Improved error messages.\nIncreased maximum allowable cutoff to allow Long-cutoff LJ model to run.\n\nPreviously:\n1) If the equilibrium optimization raised an exception, it was caught and the initial guess was increased up to a maximum. If the maximum was reached, the VC errored out\n2) If the eqbm optimization completed but failed to converge, the species combination was skipped\n3) If a cutoff could not be found, the species combination was skipped using a duplicate of the code in 2)\n\nNow, all 3 cases set failed = True and skip the species combination using the same code.\n\nThoroughly tested to behave correctly on a variety of both well-behaved and problematic models." 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"df65f9d609d0122b8fbf2a7bee0dfd6447b823cc" "pipeline.stdin.tpl" "dcea8adbb6d337d26b3868e21fb09170e1564475" "requirements.txt" "d9d459dcf2ccac2b51685309aa2236e8bf704221" "results.edn.tpl" "31f0bbc6e4908c56ca5c1414de7a71054e5d9dec" "runner" "802ef7caea1e32cbd441e4f8706c837a20c211a0"} "comments" "Change top-level 'author' key to 'creator'" "event-type" "metadata-update" "extended-id" "DimerContinuityC1__VC_303890932454_004" "timestamp" "2020-09-26 16:52:01" "user-id" "4d62befd-21c4-42b8-a472-86132e6591f3"} {"checksums" {"LICENSE.CDDL" "28c444cd138cbc7e8d6cb9bbe761a545bdec0e93" "Makefile" "611f4409c90c9e358f9cc126c6e5469e50739f7b" "kimspec.edn" "4478e3c5bffcc43855dc0e25a66e420f4bcafddc" "pipeline.stdin.tpl" "dcea8adbb6d337d26b3868e21fb09170e1564475" "requirements.txt" "d9d459dcf2ccac2b51685309aa2236e8bf704221" "results.edn.tpl" "31f0bbc6e4908c56ca5c1414de7a71054e5d9dec" "runner" "802ef7caea1e32cbd441e4f8706c837a20c211a0"} "comments" "Bug fixes for initial separation of dimer when finding equilibrium separation and minimum separation for continuity assessment" "event-type" "revised-version-creation" "extended-id" "DimerContinuityC1__VC_303890932454_004" "timestamp" "2020-08-22 05:12:17" "user-id" "360c0aed-48ce-45f6-ba13-337f12a531e8"} {"checksums" {"LICENSE.CDDL" "28c444cd138cbc7e8d6cb9bbe761a545bdec0e93" "Makefile" "611f4409c90c9e358f9cc126c6e5469e50739f7b" "kimspec.edn" "4f9a5fae0cd725e8600d77b4faf9e003dc4254b7" "pipeline.stdin.tpl" "dcea8adbb6d337d26b3868e21fb09170e1564475" "requirements.txt" "d9d459dcf2ccac2b51685309aa2236e8bf704221" "results.edn.tpl" "31f0bbc6e4908c56ca5c1414de7a71054e5d9dec" "runner" "79dc647d19988a97f7995c50753c9cc9af2da8b2"} "comments" "Updates for latest ASE KIM calculator: (1) change KIM_get_supported_species_list -> get_model_supported_species, (2) update requirements.txt" "event-type" "admin-update" "extended-id" "DimerContinuityC1__VC_303890932454_003" "timestamp" "2019-10-30 22:25:43" "user-id" "4d62befd-21c4-42b8-a472-86132e6591f3"} {"checksums" {"LICENSE.CDDL" "28c444cd138cbc7e8d6cb9bbe761a545bdec0e93" "Makefile" "611f4409c90c9e358f9cc126c6e5469e50739f7b" "kimspec.edn" "4f9a5fae0cd725e8600d77b4faf9e003dc4254b7" "pipeline.stdin.tpl" "dcea8adbb6d337d26b3868e21fb09170e1564475" "requirements.txt" "d2b7acd2c1bd0021693f25657770316efa59e2ff" "results.edn.tpl" "31f0bbc6e4908c56ca5c1414de7a71054e5d9dec" "runner" "6d828f54afa8505b0f77dcb36352156bf340432f"} "comments" "" "event-type" "revised-version-creation" "extended-id" "DimerContinuityC1__VC_303890932454_003" "timestamp" "2019-07-10 11:56:51" "user-id" "360c0aed-48ce-45f6-ba13-337f12a531e8"} {"checksums" {"LICENSE.CDDL" "28c444cd138cbc7e8d6cb9bbe761a545bdec0e93" "Makefile" "611f4409c90c9e358f9cc126c6e5469e50739f7b" "kimspec.edn" "24adfaf7e5b7ae67e98d964dcb0a26187d5948e7" "pipeline.stdin.tpl" "dcea8adbb6d337d26b3868e21fb09170e1564475" "requirements.txt" "785b71ce9aed5bdda182a61a5c691024df799194" "results.edn.tpl" "31f0bbc6e4908c56ca5c1414de7a71054e5d9dec" "runner" "6bf9348751a9daf51bd0309e3b83c887a088eacd"} "comments" "Update from web interface" "event-type" "metadata-update" "extended-id" "DimerContinuityC1__VC_303890932454_002" "timestamp" "2019-07-09 09:41:37" "user-id" "360c0aed-48ce-45f6-ba13-337f12a531e8"} {"checksums" {"LICENSE.CDDL" "28c444cd138cbc7e8d6cb9bbe761a545bdec0e93" "Makefile" "611f4409c90c9e358f9cc126c6e5469e50739f7b" "kimspec.edn" "b0bb8d277645d9fd6107799bff6b8fca3640481c" "pipeline.stdin.tpl" "dcea8adbb6d337d26b3868e21fb09170e1564475" "requirements.txt" "785b71ce9aed5bdda182a61a5c691024df799194" "results.edn.tpl" "31f0bbc6e4908c56ca5c1414de7a71054e5d9dec" "runner" "6bf9348751a9daf51bd0309e3b83c887a088eacd"} "comments" "Update from web interface" "event-type" "metadata-update" "extended-id" "DimerContinuityC1__VC_303890932454_002" "timestamp" "2019-01-20 10:59:28" "user-id" "360c0aed-48ce-45f6-ba13-337f12a531e8"} {"checksums" {"LICENSE.CDDL" "28c444cd138cbc7e8d6cb9bbe761a545bdec0e93" "Makefile" "611f4409c90c9e358f9cc126c6e5469e50739f7b" "kimspec.edn" "a93069f20deebac0febee6705dcfbdda3b32a957" "pipeline.stdin.tpl" "dcea8adbb6d337d26b3868e21fb09170e1564475" "requirements.txt" "785b71ce9aed5bdda182a61a5c691024df799194" "results.edn.tpl" "31f0bbc6e4908c56ca5c1414de7a71054e5d9dec" "runner" "6bf9348751a9daf51bd0309e3b83c887a088eacd"} "comments" "Update from web interface" "event-type" "metadata-update" "extended-id" "DimerContinuityC1__VC_303890932454_002" "timestamp" "2019-01-20 10:43:11" "user-id" "360c0aed-48ce-45f6-ba13-337f12a531e8"} {"checksums" {"LICENSE.CDDL" "28c444cd138cbc7e8d6cb9bbe761a545bdec0e93" "Makefile" "611f4409c90c9e358f9cc126c6e5469e50739f7b" "kimspec.edn" "52cb0d4a463ed4eee51681cc6c5fc7754aa6467b" "pipeline.stdin.tpl" "dcea8adbb6d337d26b3868e21fb09170e1564475" "requirements.txt" "785b71ce9aed5bdda182a61a5c691024df799194" "results.edn.tpl" "31f0bbc6e4908c56ca5c1414de7a71054e5d9dec" "runner" "6bf9348751a9daf51bd0309e3b83c887a088eacd"} "comments" "Add DOI" "event-type" "metadata-update" "extended-id" "DimerContinuityC1__VC_303890932454_002" "timestamp" "2019-01-13 12:00:00" "user-id" "9313f316-330f-4608-8924-dc943dbfac79"} {"checksums" {"LICENSE.CDDL" "28c444cd138cbc7e8d6cb9bbe761a545bdec0e93" "Makefile" "611f4409c90c9e358f9cc126c6e5469e50739f7b" "kimspec.edn" "980f0d8616c7de629ad2b61d5810051fbe2143fb" "pipeline.stdin.tpl" "dcea8adbb6d337d26b3868e21fb09170e1564475" "requirements.txt" "785b71ce9aed5bdda182a61a5c691024df799194" "results.edn.tpl" "31f0bbc6e4908c56ca5c1414de7a71054e5d9dec" "runner" "6bf9348751a9daf51bd0309e3b83c887a088eacd"} "comments" "Adjustments to make compatible with KIM API v2.0" "event-type" "revised-version-creation" "extended-id" "DimerContinuityC1__VC_303890932454_002" "timestamp" "2018-12-06 22:23:40" "user-id" "4d62befd-21c4-42b8-a472-86132e6591f3"} {"checksums" {"LICENSE.CDDL" "28c444cd138cbc7e8d6cb9bbe761a545bdec0e93" "Makefile" "611f4409c90c9e358f9cc126c6e5469e50739f7b" "kimspec.edn" "d4072d0fb9b2dbc5f2fb6b64ffa3c51ccc231141" "pipeline.stdin.tpl" "dcea8adbb6d337d26b3868e21fb09170e1564475" "requirements.txt" "17f3ad3b7cdcc6d63c93a448637d35edb7386ab7" "results.edn.tpl" "31f0bbc6e4908c56ca5c1414de7a71054e5d9dec" "runner" "18fef80a82f831f17011f77960334ce6f9888644"} "comments" "Improved algorithm for bracketing and computing the dimer cutoff (distance at which a pair of atoms no longer interact). Previous algorithm failed in cases where the dimer energy vs separation curve cross zero before the cutoff (i.e. energy changes sign before the cutoff and then goes back to zero)." "event-type" "revised-version-creation" "extended-id" "DimerContinuityC1__VC_303890932454_001" "timestamp" "2017-11-19 13:49:17" "user-id" "360c0aed-48ce-45f6-ba13-337f12a531e8"} {"checksums" {"LICENSE.CDDL" "28c444cd138cbc7e8d6cb9bbe761a545bdec0e93" "Makefile" "611f4409c90c9e358f9cc126c6e5469e50739f7b" "kimspec.edn" "f0d9a8bba5e39d74ad97616b3b93bab6281e7b3d" "pipeline.stdin.tpl" "dcea8adbb6d337d26b3868e21fb09170e1564475" "requirements.txt" "17f3ad3b7cdcc6d63c93a448637d35edb7386ab7" "results.edn.tpl" "31f0bbc6e4908c56ca5c1414de7a71054e5d9dec" "runner" "ee638e87a32c8f4afdb1159fc1603d1b5aa05dd8"} "comments" "Update to (1) not attempt to use species which ASE does not support and (2) rescale lattice parameter until non-zero forces are reached. The corresponding functions were made available in kimvc 1.1.0. NOTE: We should see if it is possible to add custom species to ase." "event-type" "metadata-update" "extended-id" "DimerContinuityC1__VC_303890932454_000" "timestamp" "2017-10-31 19:17:25" "user-id" "4d62befd-21c4-42b8-a472-86132e6591f3"} {"checksums" {"LICENSE.CDDL" "28c444cd138cbc7e8d6cb9bbe761a545bdec0e93" "Makefile" "611f4409c90c9e358f9cc126c6e5469e50739f7b" "kimspec.edn" "a18dd9ff9c638454f62ac3ffaf95c9acf8615be1" "pipeline.stdin.tpl" "dcea8adbb6d337d26b3868e21fb09170e1564475" "requirements.txt" "ce0d9ec2bf75b26c1e4edab6d32c96990185bad0" "results.edn.tpl" "31f0bbc6e4908c56ca5c1414de7a71054e5d9dec" "runner" "26ddc88bcf376c26653396c8c4c32204a289699a"} "comments" "" "event-type" "initial-creation" "extended-id" "DimerContinuityC1__VC_303890932454_000" "timestamp" "2017-09-25 19:52:57" "user-id" "4d62befd-21c4-42b8-a472-86132e6591f3"}]