From b23b160c4e2cff83e87815dcbc3543922bbe75da Mon Sep 17 00:00:00 2001 From: Kevin Gasperich Date: Wed, 28 Jun 2023 14:32:55 -0500 Subject: [PATCH] ormas bitmask ezfio --- src/bitmask/EZFIO.cfg | 24 ++++++++++++++++++++++++ 1 file changed, 24 insertions(+) diff --git a/src/bitmask/EZFIO.cfg b/src/bitmask/EZFIO.cfg index 9d713304..25812ca0 100644 --- a/src/bitmask/EZFIO.cfg +++ b/src/bitmask/EZFIO.cfg @@ -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 +