6 Commits

Author	SHA1	Message	Date
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
Anthony Scemama	ff209ff451	Fixed OCaml	2019-12-02 23:53:10 +01:00
Anthony Scemama	46d61b4117	Added imaginary EZFIO arrays for one-e	2019-12-02 18:18:30 +01:00
Anthony Scemama	5efd47339a	Checking number of electrons in MOs	2019-09-02 16:03:40 +02:00
Anthony Scemama	09eab3db06	Removed core	2019-03-13 15:49:57 +01:00
Anthony Scemama	24d9745056	Initial commit	2019-01-25 11:39:31 +01:00