8 Commits

Author	SHA1	Message	Date
Kevin Gasperich	c94ec826cc	fixed transformation (#116) ... smaller three to four index transformation * minor fix * fixed integral transformation; added complex fcidump; fixed kpts bitmasks	2020-06-11 13:48:55 -05:00
Kevin Gasperich	0524741d09	better mo transformation	2020-06-02 18:17:15 -05:00
Kevin Gasperich	9beef1669e	minor fix	2020-06-02 16:10:16 -05:00
Kevin Gasperich	611f7d602d	smaller three to four index transformation	2020-06-02 13:36:00 -05:00
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