mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-08-30 12:43:40 +02:00
Merge branch 'dev' of github.com:QuantumPackage/qp2 into dev
This commit is contained in:
commit
b21088af52
@ -128,6 +128,12 @@ and the atomic basis set:
|
||||
ao_two_e_erf_ints density_for_dft electrons mo_two_e_ints scf_utils
|
||||
ao_two_e_ints determinants ezfio nuclei work
|
||||
|
||||
If you need to run using an already existing EZFIO database, use
|
||||
|
||||
.. code:: bash
|
||||
|
||||
qp set_file hcn
|
||||
|
||||
|
||||
Run a Hartree-Fock calculation
|
||||
------------------------------
|
||||
|
@ -285,6 +285,3 @@ subroutine routine_full_mos
|
||||
|
||||
end
|
||||
|
||||
program test
|
||||
call routine_active_only
|
||||
end
|
||||
|
Loading…
Reference in New Issue
Block a user