{"push_id":2381308452,"size":4,"distinct_size":3,"ref":"refs/heads/devwork_pr","head":"e4af26d6894fcc4ffe94d581899e60ab623a4b72","before":"898f24e41acaa43cf76b32a5a0f9f076c1579dda","commits":[{"sha":"e3029cdd45aafab9802852d99676ac4398f906ec","author":{"name":"charlyqchm","email":"bad65e2c91419cfa745a1b6fddd74af5cde68854@gmail.com"},"message":"Integrated DFTB to LIO.\n\n* DFTB integrated to lio:\r\nImportant modifications made basically in SCF and TD. Many subroutines of SCF and TD were modified with new arguments, this could be a bit messy but it will be accommodated soon.\r\nThe subroutines added in dftb_subs are a bit dirty cause are until in development. All the comments in dftb_subs will be removed in later updates.\r\n\r\n* DFTB variables and subroutines identified with TB or DFTB.","distinct":false,"url":"https://api.github.com/repos/ramirezfranciscof/lio/commits/e3029cdd45aafab9802852d99676ac4398f906ec"},{"sha":"3b4d966fe55fb72f69a4979594b66a89a70e74b5","author":{"name":"Francisco","email":"9280bc57a3c2eaa0aa92d74096dd43d65f717331@users.noreply.github.com"},"message":"Setup for re-introducing fock atomic bias: changed name of subroutines.","distinct":true,"url":"https://api.github.com/repos/ramirezfranciscof/lio/commits/3b4d966fe55fb72f69a4979594b66a89a70e74b5"},{"sha":"6209133f3d9ac68f956307dca13d564c922c2464","author":{"name":"Francisco","email":"9280bc57a3c2eaa0aa92d74096dd43d65f717331@users.noreply.github.com"},"message":"New implementation of fockbias is ready for a non-spin dependent potential.\n(if open shell, only call fock apply twice for each matrix).\n\nTODO: Actually add the potential to open SCF, TD and Ehrenfest.\n\nTODO: Should be easy to make a spin-dependent potential (different charge\nfor the different fock matrices). The question if it would be useful...","distinct":true,"url":"https://api.github.com/repos/ramirezfranciscof/lio/commits/6209133f3d9ac68f956307dca13d564c922c2464"},{"sha":"e4af26d6894fcc4ffe94d581899e60ab623a4b72","author":{"name":"Francisco","email":"9280bc57a3c2eaa0aa92d74096dd43d65f717331@users.noreply.github.com"},"message":"Bugfix:\n* Wrong size inquiry in fockbias_apply\n* The keywords in lionml were only read when called from the modified\n  amber program. Now every calculation should read it.","distinct":true,"url":"https://api.github.com/repos/ramirezfranciscof/lio/commits/e4af26d6894fcc4ffe94d581899e60ab623a4b72"}]}
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