Name | Modified | Size | Downloads / Week |
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Parent folder | |||
README.md | 2020-09-08 | 1.6 kB | |
v0.1.0 source code.tar.gz | 2020-09-08 | 63.7 kB | |
v0.1.0 source code.zip | 2020-09-08 | 100.4 kB | |
Totals: 3 Items | 165.7 kB | 0 |
Fermi v0.1.0
Closed issues:
- Integrals Abstract Types (#3)
- Complex Numbers?? (#5)
- CASDecom not working if drop_occ != cas_frozen (#25)
- @energy is picky (#26)
- can't pass arguments to @energy
(#28)
- Cluster decomposition is too slow (#31)
- Travis CI setup (#32)
Merged pull requests: - Clean up (#1) (@gustavojra) - add CC skeleton (#2) (@mdav2) - Restructure of Methods (#4) (@gustavojra) - RHF Updated (#6) (@gustavojra) - Major additions (#7) (@gustavojra) - Add general DIIS functionality, SCF-DIIS validated and working (#8) (@mdav2) - fix complex number thing (#9) (@mdav2) - DIIS working for CCSD (#10) (@mdav2) - Changes to FPA (#11) (@gustavojra) - More fun macros (#12) (@gustavojra) - fix DIIS, I think CCSD is working again (#13) (@mdav2) - ACI updated (#14) (@gustavojra) - "stable" ACI version (#15) (@mdav2) - Changes on ecCC to accomodate ACI (#16) (@gustavojra) - minor improvements to ACI code (#17) (@mdav2) - minor improvements to RHF and ACI (#18) (@mdav2) - Molecule fixed. ec(T) rolled back (#19) (@gustavojra) - Clean up (#20) (@gustavojra) - ecCCSD(T) working (#21) (@gustavojra) - hf (#22) (@mdav2) - Add DF-HF (#23) (@mdav2) - Improvements to CASDecomp (#24) (@gustavojra) - This one is a chonker (#27) (@mdav2) - bugfixes and CI (#33) (@mdav2) - infrastructure updates (#36) (@mdav2) - Update docs, add some tests (#37) (@mdav2) - fix BCC (#38) (@mdav2) - Major improvement to ecCC (#39) (@gustavojra) - Docs build (#42) (@mdav2) - add doc workflow (#43) (@mdav2) - add normalize option, doc improvements (#44) (@mdav2) - bump to v0.1.0 (#45) (@mdav2)