mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-06-27 15:42:41 +02:00
70 lines
1.7 KiB
INI
70 lines
1.7 KiB
INI
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[jast_type]
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doc: Type of Jastrow [None| Mu | Qmckl]
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type: character*(32)
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interface: ezfio, provider, ocaml
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default: None
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[jast_qmckl_type_nucl_num]
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doc: Number of different nuclei types in QMCkl jastrow
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type: integer
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interface: ezfio, provider
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[jast_qmckl_type_nucl_vector]
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doc: Nucleus type in QMCkl jastrow
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type: integer
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size: (nuclei.nucl_num)
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interface: ezfio, provider
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[jast_qmckl_rescale_ee]
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doc: Rescaling factor for electron-electron in QMCkl Jastrow
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type: double precision
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interface: ezfio, provider
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[jast_qmckl_rescale_en]
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doc: Rescaling factor for electron-nucleus in QMCkl Jastrow
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type: double precision
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size: (jastrow.jast_qmckl_type_nucl_num)
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interface: ezfio, provider
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[jast_qmckl_aord_num]
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doc: Order of polynomials in e-n parameters of QMCkl jastrow
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type: integer
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interface: ezfio, provider
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[jast_qmckl_bord_num]
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doc: Order of polynomials in e-e parameters of QMCkl jastrow
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type: integer
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interface: ezfio, provider
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[jast_qmckl_cord_num]
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doc: Order of polynomials in e-e-n parameters of QMCkl jastrow
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type: integer
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interface: ezfio, provider
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[jast_qmckl_c_vector_size]
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doc: Number of parameters for c_vector
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type: integer
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interface: ezfio, provider
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[jast_qmckl_a_vector]
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doc: electron-nucleus parameters in QMCkl Jastrow
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type: double precision
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size: (jastrow.jast_qmckl_type_nucl_num*jastrow.jast_qmckl_aord_num+jastrow.jast_qmckl_type_nucl_num)
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interface: ezfio, provider
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[jast_qmckl_b_vector]
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doc: electron-electron parameters in QMCkl Jastrow
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type: double precision
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size: (jastrow.jast_qmckl_bord_num+1)
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interface: ezfio, provider
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[jast_qmckl_c_vector]
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doc: electron-electron-nucleus parameters in QMCkl Jastrow
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type: double precision
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size: (jastrow.jast_qmckl_c_vector_size)
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interface: ezfio, provider
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