9
1
mirror of https://github.com/QuantumPackage/qp2.git synced 2024-12-10 05:33:30 +01:00

update doc

This commit is contained in:
Yann Damour 2023-03-11 23:29:02 +01:00
parent 86974ea2d4
commit 0b728d62e7

View File

@ -15,3 +15,11 @@ If you are interested in transitions between two excited states:
```
qp set mol_properties print_all_transitions true
```
They can be obtained by running
```
qp run properties
```
or at each step of a cipsi calculation with
```
qp run fci
```