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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 type: Threshold
default: 1.e-10 default: 1.e-10
interface: input interface: input
default: 10000 size: 1
size : ao_num, 3
[do_pt2_end] [energy]
type: logical type: double precision
doc: If true, compute the PT2 at the end of the selection doc: Calculated HF energy
default: true
interface: output interface: output
size : 1
``` ```
""" """

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