7 Commits

Author	SHA1	Message	Date
Kevin Gasperich	272f7fdc30	updated cd irp	2022-06-29 13:19:29 -05:00
Kevin Gasperich	1fb24382b5	starting mo cholesky ints	2022-03-09 13:43:34 -06:00
Kevin Gasperich	a65eeab44e	starting 3-idx ints in qmcpack cholesky format	2022-03-08 17:48:25 -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
Kevin Gasperich	8472e71df4	working on complex converter	2020-02-11 16:39:08 -06:00
Anthony Scemama	24d9745056	Initial commit	2019-01-25 11:39:31 +01:00