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Beter doc for ei_handler

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This commit is contained in:
Thomas Applencourt 2015-03-30 14:53:13 +02:00
parent 580d2a26df
commit 96d69921ff
2 changed files with 5 additions and 8 deletions
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11
scripts/ezfio_interface/ei_handler.py
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@ -27,15 +27,12 @@ doc: Threshold on the convergence of the Hartree Fock energy
type: Threshold
default: 1.e-10
interface: input
default: 10000
size : ao_num, 3
size: 1
[do_pt2_end]
type: logical
doc: If true, compute the PT2 at the end of the selection
default: true
[energy]
type: double precision
doc: Calculated HF energy
interface: output
size : 1
```
"""

2
src/Hartree_Fock/EZFIO.cfg
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@ -18,5 +18,5 @@ default: Huckel
[energy]
type: double precision
doc: "Calculated HF energy"
doc: Calculated HF energy
interface: output