LCPQ/quantum_package
10
0
Fork 0
mirror of https://github.com/LCPQ/quantum_package synced 2024-11-07 22:53:57 +01:00
Code Issues Releases Wiki Activity
be8818538a
quantum_package/src/BiInts/bi_integrals.ezfio_config

10 lines
245 B
Plaintext
Raw Normal View History

Added Bi-electronic integrals module
2014-04-17 23:50:51 +02:00
bielec_integrals
read_ao_integrals logical
read_mo_integrals logical
write_ao_integrals logical
write_mo_integrals logical
threshold_ao double precision
threshold_mo double precision
Corrected bug in ROHF
2014-04-25 23:55:54 +02:00
direct logical
Added Bi-electronic integrals module
2014-04-17 23:50:51 +02:00
Reference in New Issue Copy Permalink