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mirror of https://github.com/QuantumPackage/qp2.git synced 2024-12-22 19:43:32 +01:00
qp2/plugins/local/extra_nuclei/EZFIO.cfg
2024-12-13 17:35:24 +01:00

57 lines
1.2 KiB
INI

[extra_nucl_num]
doc: Number of nuclei
type: integer
interface: ezfio, provider
[extra_nucl_pouet]
doc: Number of nuclei
type: integer
interface: ezfio, provider, ocaml
default:1
[extra_nucl_label]
doc: Nuclear labels
type: character*(32)
size: (extra_nuclei.extra_nucl_num)
interface: ezfio, provider
[extra_nucl_charge]
doc: Nuclear charges
type:double precision
size: (extra_nuclei.extra_nucl_num)
interface: ezfio, provider
[extra_nucl_coord]
doc: Nuclear coordinates in the format (:, {x,y,z})
type: double precision
size: (extra_nuclei.extra_nucl_num,3)
interface: ezfio
[extra_nucl_real_num]
doc: Number of real nuclei
type: integer
interface: ezfio, provider
[extra_nucl_fictious_num]
doc: Number of fictious nuclei
type: integer
interface: ezfio, provider
[extra_nucl_real_fictious_list]
doc: List of real nuclei to which fictious nuclei are attached to
type: integer
size: (extra_nuclei.extra_nucl_fictious_num)
interface: ezfio, provider
[extra_nucl_fictious_list]
doc: List of fictious nuclei
type: integer
size: (extra_nuclei.extra_nucl_fictious_num)
interface: ezfio, provider
[extra_nucl_real_list]
doc: List of real nuclei
type: integer
size: (extra_nuclei.extra_nucl_real_num)
interface: ezfio, provider