10
0
mirror of https://github.com/QuantumPackage/qp2.git synced 2024-07-17 08:30:37 +02:00
Commit Graph

5 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
Kevin Gasperich
3ca3dc3061 working on complex 3-index integrals 2020-02-11 17:35:28 -06:00
Kevin Gasperich
b1e14142c6 working on complex MO 2e ints 2020-02-05 17:50:17 -06:00
Kevin Gasperich
cc840cdbc1 restructured mo_coef_complex provider; added mo_coef_real; maybe need to change ocaml? 2020-01-29 16:23:00 -06:00
Kevin Gasperich
79b75a11f7 more work on complex mos; created separate file for complex mos 2020-01-28 15:39:25 -06:00