2009-10-12 17:37:07 +02:00
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BEGIN_PROVIDER [ integer, det_num ]
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implicit none
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BEGIN_DOC
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! Number of determinants
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END_DOC
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det_num = 1
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call get_determinants_det_num(det_num)
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if (det_num < 1) then
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call abrt(irp_here,'det_num should be > 0')
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endif
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END_PROVIDER
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BEGIN_PROVIDER [ integer, det, (elec_alpha_num-mo_closed_num,det_num,2) ]
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&BEGIN_PROVIDER [ real, det_coef, (det_num) ]
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implicit none
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BEGIN_DOC
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! det : Description of the active orbitals of the determinants
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2010-04-28 16:07:18 +02:00
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2009-10-12 17:37:07 +02:00
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! det_coef : Determinant coefficients
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END_DOC
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2010-04-28 16:07:18 +02:00
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if (elec_alpha_num > mo_closed_num) then
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det = 0
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call get_determinants_det_occ(det)
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endif
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2009-10-12 17:37:07 +02:00
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det_coef = 0.
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2010-04-28 16:07:18 +02:00
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det_coef(1) = 1.
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2009-10-12 17:37:07 +02:00
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call get_determinants_det_coef(det_coef)
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END_PROVIDER
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