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76 lines
1.2 KiB
ReStructuredText
76 lines
1.2 KiB
ReStructuredText
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.. _module_davidson_undressed:
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.. program:: davidson_undressed
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.. default-role:: option
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==================
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davidson_undressed
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==================
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Module for main files Davidson's algorithm with no dressing.
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Providers
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---------
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.. c:var:: dressing_column_h
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File : :file:`davidson_undressed/null_dressing_vector.irp.f`
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.. code:: fortran
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double precision, allocatable :: dressing_column_h (N_det,N_states)
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double precision, allocatable :: dressing_column_s (N_det,N_states)
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Null dressing vectors
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Needs:
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.. hlist::
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:columns: 3
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* :c:data:`n_det`
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* :c:data:`n_states`
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Needed by:
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.. hlist::
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:columns: 3
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* :c:data:`ci_electronic_energy`
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.. c:var:: dressing_column_s
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File : :file:`davidson_undressed/null_dressing_vector.irp.f`
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.. code:: fortran
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double precision, allocatable :: dressing_column_h (N_det,N_states)
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double precision, allocatable :: dressing_column_s (N_det,N_states)
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Null dressing vectors
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Needs:
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.. hlist::
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:columns: 3
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* :c:data:`n_det`
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* :c:data:`n_states`
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Needed by:
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.. hlist::
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:columns: 3
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* :c:data:`ci_electronic_energy`
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