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41 lines
1.0 KiB
Fortran
41 lines
1.0 KiB
Fortran
BEGIN_SHELL [ /usr/bin/python ]
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from ezfio_with_default import EZFIO_Provider
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T = EZFIO_Provider()
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T.set_type ( "integer" )
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T.set_name ( "n_state_cis" )
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T.set_doc ( "Number of states asked for the CIS vector" )
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T.set_ezfio_dir ( "cis_dressed" )
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T.set_ezfio_name( "n_state_cis" )
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T.set_output ( "output_CIS" )
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print T
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T.set_name ( "n_core_cis" )
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T.set_doc ( "Number of core orbitals in the dressed CIS" )
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T.set_ezfio_name( "n_core_cis" )
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print T
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T.set_name ( "n_act_cis" )
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T.set_doc ( "Number of active orbitals in the dressed CIS" )
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T.set_ezfio_name( "n_act_cis" )
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print T
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T.set_type ( "logical" )
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T.set_name ( "mp2_dressing" )
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T.set_doc ( "If true, use MP2 dressing in the dressed CIS" )
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T.set_ezfio_name( "mp2_dressing" )
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print T
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T.set_name ( "standard_doubles" )
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T.set_doc ( "If true, use standard doubles in the dressed CIS" )
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T.set_ezfio_name( "standard_doubles" )
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print T
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T.set_name ( "en_2_2" )
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T.set_doc ( "TODO")
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T.set_ezfio_name( "en_2_2" )
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print T
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END_SHELL
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