LCPQ/quantum_package
10
0
Fork 0
mirror of https://github.com/LCPQ/quantum_package synced 2024-12-22 20:35:19 +01:00
Code Issues Releases Wiki Activity

Move electrons_ezfio.confing into EZFIO.cfg

Browse Source
This commit is contained in:
Thomas Applencourt 2015-07-02 16:00:59 +02:00
parent 30dcb63621
commit 19ec3a7d3c
2 changed files with 15 additions and 5 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

15
src/Electrons/EZFIO.cfg Normal file
View File

@ -0,0 +1,15 @@
[elec_alpha_num]
type: integer
doc: elec_alpha_num
interface: ezfio
[elec_beta_num]
type: integer
doc: elec_beta_num
interface: ezfio
[elec_num]
type: integer
doc: name of the ao basis
size: =(electrons.elec_alpha_num + electrons.elec_beta_num)
interface: ezfio

5
src/Electrons/electrons.ezfio_config
View File

@ -1,5 +0,0 @@
electrons
elec_alpha_num integer
elec_beta_num integer
elec_num integer = electrons_elec_alpha_num + electrons_elec_beta_num