LCPQ/quantum_package
10
0
Fork 0
mirror of https://github.com/LCPQ/quantum_package synced 2025-01-07 20:03:11 +01:00
Code Issues Releases Wiki Activity
e04a426051
quantum_package/plugins/CAS_SD/EZFIO.cfg

11 lines
197 B
INI
Raw Normal View History

Forgt EZFIO.cfg file
2015-04-10 00:45:09 +02:00
[energy]
type: double precision
doc: "Calculated CAS-SD energy"
Update the EZFIO.cfg with the new keyword
2015-06-18 15:01:04 +02:00
interface: ezfio
Forgt EZFIO.cfg file
2015-04-10 00:45:09 +02:00
[energy_pt2]
type: double precision
doc: "Calculated selected CAS-SD energy with PT2 correction"
Update the EZFIO.cfg with the new keyword
2015-06-18 15:01:04 +02:00
interface: ezfio
Forgt EZFIO.cfg file
2015-04-10 00:45:09 +02:00
Reference in New Issue Copy Permalink