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Thomas Applencourt 2015-06-23 14:19:54 +02:00
parent 45054db18e
commit b3676c43d0
3 changed files with 8 additions and 4 deletions
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2
README.md
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@ -138,6 +138,8 @@ Optional:
size: <str> The size information. size: <str> The size information.
(by default is one) (by default is one)
Example : 1, =sum(ao_num); (ao_num,3) Example : 1, =sum(ao_num); (ao_num,3)
ATTENTION : The module and the value are separed by a "." not a "_".
For exemple (determinants.n_det)
ezfio_name: <str> The name for the EZFIO lib ezfio_name: <str> The name for the EZFIO lib
(by default is <provider_name>) (by default is <provider_name>)
ezfio_dir: <str> Will be the folder of EZFIO. ezfio_dir: <str> Will be the folder of EZFIO.

2
scripts/ezfio_interface/ei_handler.py
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@ -44,6 +44,8 @@ Optional:
size: <str> The size information. size: <str> The size information.
(by default is one) (by default is one)
Example : 1, =sum(ao_num); (ao_num,3) Example : 1, =sum(ao_num); (ao_num,3)
ATTENTION : The module and the value are separed by a "." not a "_".
For exemple (determinants.n_det)
ezfio_name: <str> The name for the EZFIO lib ezfio_name: <str> The name for the EZFIO lib
(by default is <provider_name>) (by default is <provider_name>)
ezfio_dir: <str> Will be the folder of EZFIO. ezfio_dir: <str> Will be the folder of EZFIO.

8
src/Nuclei/EZFIO.cfg
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@ -6,17 +6,17 @@ interface: ezfio
[nucl_label] [nucl_label]
doc: Nuclear labels doc: Nuclear labels
type: character*(32) type: character*(32)
size: (nuclei_nucl_num) size: (nuclei.nucl_num)
interface: ezfio interface: ezfio
[nucl_charge] [nucl_charge]
doc: Nuclear charges doc: Nuclear charges
type:double precision type:double precision
size: (nuclei_nucl_num) size: (nuclei.nucl_num)
interface: ezfio, provider interface: ezfio
[nucl_coord] [nucl_coord]
doc: Nuclear coordinates in the format (:, {x,y,z}) doc: Nuclear coordinates in the format (:, {x,y,z})
type: double precision type: double precision
size: (nuclei_nucl_num,3) size: (nuclei.nucl_num,3)
interface: ezfio interface: ezfio