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https://github.com/LCPQ/quantum_package
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@ -138,6 +138,8 @@ Optional:
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size: <str> The size information.
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(by default is one)
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Example : 1, =sum(ao_num); (ao_num,3)
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ATTENTION : The module and the value are separed by a "." not a "_".
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For exemple (determinants.n_det)
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ezfio_name: <str> The name for the EZFIO lib
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(by default is <provider_name>)
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ezfio_dir: <str> Will be the folder of EZFIO.
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@ -44,6 +44,8 @@ Optional:
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size: <str> The size information.
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(by default is one)
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Example : 1, =sum(ao_num); (ao_num,3)
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ATTENTION : The module and the value are separed by a "." not a "_".
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For exemple (determinants.n_det)
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ezfio_name: <str> The name for the EZFIO lib
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(by default is <provider_name>)
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ezfio_dir: <str> Will be the folder of EZFIO.
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@ -6,17 +6,17 @@ interface: ezfio
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[nucl_label]
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doc: Nuclear labels
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type: character*(32)
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size: (nuclei_nucl_num)
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size: (nuclei.nucl_num)
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interface: ezfio
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[nucl_charge]
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doc: Nuclear charges
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type:double precision
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size: (nuclei_nucl_num)
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interface: ezfio, provider
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size: (nuclei.nucl_num)
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interface: ezfio
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[nucl_coord]
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doc: Nuclear coordinates in the format (:, {x,y,z})
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type: double precision
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size: (nuclei_nucl_num,3)
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size: (nuclei.nucl_num,3)
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interface: ezfio
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