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Commit Graph

4 Commits

Author SHA1 Message Date
Kevin Gasperich
a81152ad7f fixed ao to mo 3idx transformation 2020-02-19 12:13:24 -06:00
Kevin Gasperich
727ab502c5 working on 3idx mo ints 2020-02-18 18:32:47 -06:00
Kevin Gasperich
2cffbdcc9d significant restructuring of complex int parts
instead of real/imag parts read separately, use ezfio to read/write complex arrays with extra dimension of size 2
converter needs to be tested (might need to transpose some axes in arrays)
converter has extra garbage that needs to be removed after testing
2020-02-12 16:34:32 -06:00
Kevin Gasperich
3ca3dc3061 working on complex 3-index integrals 2020-02-11 17:35:28 -06:00