{"push_id":669542170,"size":78,"distinct_size":78,"ref":"refs/heads/master","head":"8391720d4c7da51262f229abdb23881f657224ad","before":"6ffa5ebe9b4c5b0c3ef6abeeb6025f087b1aefbe","commits":[{"sha":"a0b26b987540eb900ad4312722953b2b59b328ab","author":{"email":"6db70c2314f8a3d3e2a95ae9bdc126ab997c5ce7@u.northwestern.edu","name":"Ryan Dave Reynolds"},"message":"comment","distinct":true,"url":"https://api.github.com/repos/nubakery/bagel/commits/a0b26b987540eb900ad4312722953b2b59b328ab"},{"sha":"1e64bb496cf95d8cb93fe6a34ceebac0e1405677","author":{"email":"6db70c2314f8a3d3e2a95ae9bdc126ab997c5ce7@u.northwestern.edu","name":"Ryan Dave Reynolds"},"message":"Starting to put together RelCoeff class\n\nJust simple things like a constructor at this point","distinct":true,"url":"https://api.github.com/repos/nubakery/bagel/commits/1e64bb496cf95d8cb93fe6a34ceebac0e1405677"},{"sha":"9cf679dc5c04e66e4ad0abe69c07a3933d10449d","author":{"email":"6db70c2314f8a3d3e2a95ae9bdc126ab997c5ce7@u.northwestern.edu","name":"Ryan Dave Reynolds"},"message":"Adding the functions to convert between striped and block formats","distinct":true,"url":"https://api.github.com/repos/nubakery/bagel/commits/9cf679dc5c04e66e4ad0abe69c07a3933d10449d"},{"sha":"622f7f22b00527d6212d73cbacff8e3390eb1905","author":{"email":"6db70c2314f8a3d3e2a95ae9bdc126ab997c5ce7@u.northwestern.edu","name":"Ryan Dave Reynolds"},"message":"Moving negative energy orbitals from front to back should only be needed with striped coefficients (when coming from Dirac)","distinct":true,"url":"https://api.github.com/repos/nubakery/bagel/commits/622f7f22b00527d6212d73cbacff8e3390eb1905"},{"sha":"eb3b3fe4c8b2de431102288d4244c80be85ea633","author":{"email":"6db70c2314f8a3d3e2a95ae9bdc126ab997c5ce7@u.northwestern.edu","name":"Ryan Dave Reynolds"},"message":"Two nvirt values for inclusion or exclusion of negative energy orbitals\n\nSimilar to how ZCASSCF works, but with the inclusive one named nvirt_rel() for clarity.","distinct":true,"url":"https://api.github.com/repos/nubakery/bagel/commits/eb3b3fe4c8b2de431102288d4244c80be85ea633"},{"sha":"70b228e37adaf5d0a098a8e96c18f2cbb0dfe179","author":{"email":"6db70c2314f8a3d3e2a95ae9bdc126ab997c5ce7@u.northwestern.edu","name":"Ryan Dave Reynolds"},"message":"We missed one more fix for position of neg. energy orbitals\n\nThis fixes the O2 test case discussed the other day.","distinct":true,"url":"https://api.github.com/repos/nubakery/bagel/commits/70b228e37adaf5d0a098a8e96c18f2cbb0dfe179"},{"sha":"cad6180d600df17a8cdc717953a5ad96113a7c08","author":{"email":"6db70c2314f8a3d3e2a95ae9bdc126ab997c5ce7@u.northwestern.edu","name":"Ryan Dave Reynolds"},"message":"Make base class constructor protected","distinct":true,"url":"https://api.github.com/repos/nubakery/bagel/commits/cad6180d600df17a8cdc717953a5ad96113a7c08"},{"sha":"d9fe3fc50bba45effa5cba7ea5695daadada7dfc","author":{"email":"6db70c2314f8a3d3e2a95ae9bdc126ab997c5ce7@u.northwestern.edu","name":"Ryan Dave Reynolds"},"message":"Moves copying of ZMatrix data from base class constructor to derived\n\nThe previous design seemed likely to lead to filling in the matrix, then overwriting everything to rearrange orbitals.  We want to avoid that.","distinct":true,"url":"https://api.github.com/repos/nubakery/bagel/commits/d9fe3fc50bba45effa5cba7ea5695daadada7dfc"},{"sha":"9a2e6e1929f886898e66466f36316500aef273bd","author":{"email":"6db70c2314f8a3d3e2a95ae9bdc126ab997c5ce7@u.northwestern.edu","name":"Ryan Dave Reynolds"},"message":"Merge branch 'master' of github.com:shiozaki/BAGEL into gauge\n\n# By Toru Shiozaki (6) and Ryan Dave Reynolds (1)\n# Via Toru Shiozaki\n* 'master' of github.com:shiozaki/BAGEL:\n  cleaning up some stupidity + minor bug when linear dependency is present\n  bug fix and denominator for cc/aa\n  We missed one more fix for position of neg. energy orbitals\n  to make it consistent with current smith\n  started to interface generated code for RelMRCI\n  comment out one test that fails - resolves #47\n  bug fix for the coulomb opt test - another reason why we need better coeff classes\n\nConflicts:\n\tsrc/multi/zcasscf/zcasscf.cc","distinct":true,"url":"https://api.github.com/repos/nubakery/bagel/commits/9a2e6e1929f886898e66466f36316500aef273bd"},{"sha":"da155c715dabecf6023dd54d0d5ca2e8ee33bac8","author":{"email":"6db70c2314f8a3d3e2a95ae9bdc126ab997c5ce7@u.northwestern.edu","name":"Ryan Dave Reynolds"},"message":"Introduces ZReference class for RHF_London (and other nonrel complex coefficients)\n\nPreviously we just used RelReference, which isn't really appropriate since we are using a restricted wave function.  Anyway, RHF_London cannot use a RelCoeff, which RelReference will soon depend upon.","distinct":true,"url":"https://api.github.com/repos/nubakery/bagel/commits/da155c715dabecf6023dd54d0d5ca2e8ee33bac8"},{"sha":"da44400d1cdd759656663bed4e1e82cdb67ec830","author":{"email":"6db70c2314f8a3d3e2a95ae9bdc126ab997c5ce7@u.northwestern.edu","name":"Ryan Dave Reynolds"},"message":"Continuing the previous point - printing features need to accept a ZReference","distinct":true,"url":"https://api.github.com/repos/nubakery/bagel/commits/da44400d1cdd759656663bed4e1e82cdb67ec830"},{"sha":"deaf11f310c2f5d64414eea907f8a2459dc16071","author":{"email":"6db70c2314f8a3d3e2a95ae9bdc126ab997c5ce7@u.northwestern.edu","name":"Ryan Dave Reynolds"},"message":"Activating serialization of RelCoeff_Striped","distinct":true,"url":"https://api.github.com/repos/nubakery/bagel/commits/deaf11f310c2f5d64414eea907f8a2459dc16071"},{"sha":"af890e60f5ddaa0ef536221c4c799b8f67b0bab2","author":{"email":"6db70c2314f8a3d3e2a95ae9bdc126ab997c5ce7@u.northwestern.edu","name":"Ryan Dave Reynolds"},"message":"DHF and ZCASSCF now spit out a RelCoeff_Striped in conv_to_ref().","distinct":true,"url":"https://api.github.com/repos/nubakery/bagel/commits/af890e60f5ddaa0ef536221c4c799b8f67b0bab2"},{"sha":"af20c2b2dfc7b95923cf38b40b79686e4b1158fa","author":{"email":"6db70c2314f8a3d3e2a95ae9bdc126ab997c5ce7@u.northwestern.edu","name":"Ryan Dave Reynolds"},"message":"Switching SOSCF from RelReference to ZReference.\n\nIt still cannot be used, though, because ref->coeff() is called in the constructor of SCF_base.","distinct":true,"url":"https://api.github.com/repos/nubakery/bagel/commits/af20c2b2dfc7b95923cf38b40b79686e4b1158fa"},{"sha":"26f9871408fc2d84825f26784354494b7a5d20a7","author":{"email":"6db70c2314f8a3d3e2a95ae9bdc126ab997c5ce7@u.northwestern.edu","name":"Ryan Dave Reynolds"},"message":"Simplest possible fix for SOSCF Reference.\n\nBut in this case, ZReference::coeff() is called and returns a nullptr, which is ignored.  Probably it would be better design to move SCF_base::get_coeff() from the constructor to an init() function and overload it.","distinct":true,"url":"https://api.github.com/repos/nubakery/bagel/commits/26f9871408fc2d84825f26784354494b7a5d20a7"},{"sha":"d53b139ddd75e07b7dd86d40ecd2d3e6b6a56c78","author":{"email":"6db70c2314f8a3d3e2a95ae9bdc126ab997c5ce7@u.northwestern.edu","name":"Ryan Dave Reynolds"},"message":"Switches RelReference from storing a ZMatrix to storing a RelCoeff_Striped","distinct":true,"url":"https://api.github.com/repos/nubakery/bagel/commits/d53b139ddd75e07b7dd86d40ecd2d3e6b6a56c78"},{"sha":"b06b1a3b30ad18bb7c2a1bb504a1b4622bb9ea65","author":{"email":"6db70c2314f8a3d3e2a95ae9bdc126ab997c5ce7@u.northwestern.edu","name":"Ryan Dave Reynolds"},"message":"Merge branch 'master' of github.com:shiozaki/BAGEL into gauge\n\n# By Toru Shiozaki\n# Via Toru Shiozaki\n* 'master' of github.com:shiozaki/BAGEL:\n  synchronizing with BTAS c5cc2fbb935119c20e124ba81f932859992c77cf\n  bug fix. xx/aa still does not work","distinct":true,"url":"https://api.github.com/repos/nubakery/bagel/commits/b06b1a3b30ad18bb7c2a1bb504a1b4622bb9ea65"},{"sha":"91bcf328da61926ccce9fe7ed5358c45894c8942","author":{"email":"6db70c2314f8a3d3e2a95ae9bdc126ab997c5ce7@u.northwestern.edu","name":"Ryan Dave Reynolds"},"message":"minor\n\nFor consistency in naming","distinct":true,"url":"https://api.github.com/repos/nubakery/bagel/commits/91bcf328da61926ccce9fe7ed5358c45894c8942"},{"sha":"d4ddc9e7d1a4c060c6f1f73ce6099283d4600d59","author":{"email":"6db70c2314f8a3d3e2a95ae9bdc126ab997c5ce7@u.northwestern.edu","name":"Ryan Dave Reynolds"},"message":"Constructors of ZHarrison and ZCASSCF now use RelCoeff_Striped directly.\n\nset_active() does too; need to adapt the initialization functions, though…","distinct":true,"url":"https://api.github.com/repos/nubakery/bagel/commits/d4ddc9e7d1a4c060c6f1f73ce6099283d4600d59"},{"sha":"749c72a23bf538f99277708147c31d38fafabaf3","author":{"email":"6db70c2314f8a3d3e2a95ae9bdc126ab997c5ce7@u.northwestern.edu","name":"Ryan Dave Reynolds"},"message":"minor","distinct":true,"url":"https://api.github.com/repos/nubakery/bagel/commits/749c72a23bf538f99277708147c31d38fafabaf3"}]}