7 Commits

Author	SHA1	Message	Date
v1j4y	922c52c36a	Compiles locally. #32	2021-09-27 18:41:01 +02:00
v1j4y	5a095c490d	Check whether MO basis has been initialized before computations. #32	2021-09-27 18:39:45 +02:00
v1j4y	c1c5a4a8aa	Provided function to check for MO basis. #32	2021-09-27 18:30:59 +02:00
v1j4y	ff124cb62c	Deactivate mo test atm.	2021-09-27 18:20:41 +02:00
v1j4y	a055732227	Fixed bug and working on tests for MOs. #32	2021-09-27 18:17:21 +02:00
v1j4y	a52d6683cc	Allow 0 beta electrons. #32	2021-09-27 17:18:43 +02:00
v1j4y	3fa60a3009	Implemented MOs. Needs testing. #32	2021-09-15 18:30:41 +02:00