mirror of
https://github.com/LCPQ/quantum_package
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91 lines
2.1 KiB
Fortran
91 lines
2.1 KiB
Fortran
BEGIN_PROVIDER [ integer , n_state_cis ]
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implicit none
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BEGIN_DOC
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! Number of states asked for the CIS vector
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END_DOC
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logical :: has
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PROVIDE ezfio_filename
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call ezfio_has_cis_dressed_n_state_cis(has)
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if (has) then
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call ezfio_get_cis_dressed_n_state_cis(n_state_cis)
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else
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n_state_cis = 5
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call ezfio_set_cis_dressed_n_state_cis(n_state_cis)
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endif
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END_PROVIDER
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BEGIN_PROVIDER [ integer , n_core_cis]
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implicit none
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BEGIN_DOC
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! Number of states asked for the CIS vector
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END_DOC
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logical :: has
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PROVIDE ezfio_filename
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call ezfio_has_cis_dressed_n_core_cis(has)
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if (has) then
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call ezfio_get_cis_dressed_n_core_cis(n_core_cis)
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else
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n_core_cis = 0
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call ezfio_set_cis_dressed_n_core_cis(n_core_cis)
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endif
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END_PROVIDER
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BEGIN_PROVIDER [ integer , n_act_cis]
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implicit none
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BEGIN_DOC
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! Number of states asked for the CIS vector
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END_DOC
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logical :: has
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PROVIDE ezfio_filename
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call ezfio_has_cis_dressed_n_act_cis(has)
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if (has) then
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call ezfio_get_cis_dressed_n_act_cis(n_act_cis)
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else
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n_act_cis = mo_tot_num
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call ezfio_set_cis_dressed_n_act_cis(n_act_cis)
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endif
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END_PROVIDER
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BEGIN_PROVIDER [ logical , mp2_dressing]
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implicit none
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BEGIN_DOC
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! Number of states asked for the CIS vector
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END_DOC
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logical :: has
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PROVIDE ezfio_filename
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call ezfio_has_cis_dressed_mp2_dressing(has)
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if (has) then
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call ezfio_get_cis_dressed_mp2_dressing(mp2_dressing)
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else
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mp2_dressing = .False.
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call ezfio_set_cis_dressed_mp2_dressing(mp2_dressing)
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endif
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END_PROVIDER
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BEGIN_PROVIDER [ logical , standard_doubles]
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implicit none
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BEGIN_DOC
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! Number of states asked for the CIS vector
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END_DOC
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logical :: has
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PROVIDE ezfio_filename
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call ezfio_has_cis_dressed_standard_doubles(has)
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if (has) then
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call ezfio_get_cis_dressed_standard_doubles(standard_doubles)
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else
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standard_doubles = .True.
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call ezfio_set_cis_dressed_standard_doubles(standard_doubles)
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endif
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END_PROVIDER
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