2015-05-11 14:45:37 +02:00
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[pseudo_klocmax]
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doc: test
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type:integer
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interface: input_without_default
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[pseudo_n_k]
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doc: test
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type: integer
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interface: input_without_default
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size: (nuclei.nucl_num,pseudo.pseudo_klocmax)
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[pseudo_v_k]
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doc: test
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type: double precision
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interface: input_without_default
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size: (nuclei.nucl_num,pseudo.pseudo_klocmax)
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[pseudo_dz_k]
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doc: test
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type: double precision
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interface: input_without_default
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size: (nuclei.nucl_num,pseudo.pseudo_klocmax)
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[pseudo_lmax]
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doc: test
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type:integer
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interface: input_without_default
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[pseudo_kmax]
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doc: test
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type:integer
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interface: input_without_default
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[pseudo_n_kl]
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doc: test
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type: integer
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interface: input_without_default
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size: (nuclei.nucl_num,pseudo.pseudo_kmax,0:pseudo.pseudo_lmax)
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[pseudo_v_kl]
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doc: test
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type: double precision
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interface: input_without_default
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size: (nuclei.nucl_num,pseudo.pseudo_kmax,0:pseudo.pseudo_lmax)
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[pseudo_dz_kl]
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doc: test
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type: double precision
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interface: input_without_default
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size: (nuclei.nucl_num,pseudo.pseudo_kmax,0:pseudo.pseudo_lmax)
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2015-05-11 15:50:39 +02:00
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[do_pseudo]
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type: logical
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doc: Using pseudo potential integral of not
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interface: input
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default: False
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2015-05-13 22:52:03 +02:00
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[pseudo_grid_size]
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type: integer
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2015-05-21 10:15:13 +02:00
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doc: Nb of points of the QMC grid
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2015-05-13 22:52:03 +02:00
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interface: input
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default: 100
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2015-05-21 10:15:13 +02:00
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[pseudo_grid_rmax]
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type: double precision
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doc: R_maxof the QMC grid
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interface: input
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default: 4.0
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2015-05-13 22:52:03 +02:00
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[pseudo_grid]
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type: double precision
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doc: QMC grid
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interface: output
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size: (pseudo.pseudo_grid_size,ao_basis.ao_num,-pseudo.pseudo_lmax:pseudo.pseudo_lmax,0:pseudo.pseudo_lmax,nuclei.nucl_num)
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[pseudo_matrix]
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type: double precision
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doc: QMC grid
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interface: output
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2015-05-21 10:15:13 +02:00
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size: (aux_basis.aux_basis_num_sqrt,aux_basis.aux_basis_num_sqrt)
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2015-05-13 22:52:03 +02:00
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