LCPQ/qp2
9
1
Fork 0
mirror of https://github.com/QuantumPackage/qp2.git synced 2024-11-20 12:22:21 +01:00
Code Releases Activity

ormas bitmask ezfio

Browse Source
This commit is contained in:
Kevin Gasperich 2023-06-28 14:32:55 -05:00
parent 25577131dd
commit b23b160c4e
1 changed files with 24 additions and 0 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

24
src/bitmask/EZFIO.cfg
View File

@ -3,3 +3,27 @@ type: integer
doc: Number of active |MOs|
interface: ezfio
[ormas_n_space]
type: integer
doc: Number of active spaces
interface: ezfio, provider, ocaml
default: 1
[ormas_mstart]
type: integer
doc: starting orb for each ORMAS space
size: (bitmask.ormas_n_space)
interface: ezfio, provider, ocaml
[ormas_min_e]
type: integer
doc: min number of electrons in each ORMAS space
size: (bitmask.ormas_n_space)
interface: ezfio, provider, ocaml
[ormas_max_e]
type: integer
doc: max number of electrons in each ORMAS space
size: (bitmask.ormas_n_space)
interface: ezfio, provider, ocaml