10 Commits

Author	SHA1	Message	Date
Anthony Scemama	61ddf14ab9	Added average mu(r) with rho^2	2025-02-28 18:04:16 +01:00
Anthony Scemama	ed1253f629	Sort indices for faster access in RDM	2025-02-25 18:09:57 +01:00
eginer	6611722d32	put more explicit print in print_su_pbe_ot.irp.f	2025-02-04 11:31:11 +01:00
eginer	8f54963655	moved ao_one_e_integrals_from_mo into mo_one_e_ints	2024-11-20 18:26:27 +01:00
eginer	c0941c5d1d	added print_n2_related_stuff.irp.f	2024-11-06 18:12:40 +01:00
eginer	70745cbeaa	added sparse cholesky mu_of_r	2024-05-23 14:45:33 +02:00
eginer	49a96d4400	added f_hf_cholesky without big storage in memory	2024-05-23 10:17:31 +02:00
eginer	ce042fbd78	basis set correction with cholesky works for hf	2024-05-21 12:01:28 +02:00
Anthony Scemama	d4d4393956	cas_ful -> cas_full	2023-11-11 16:13:23 +01:00
Anthony Scemama	b95c8142a5	Moved many modules in plugins/local for quicker installation	2023-11-07 10:27:34 +01:00