2009-05-14 17:48:27 +02:00
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BEGIN_PROVIDER [ integer, elec_alpha_num ]
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2009-10-12 17:37:07 +02:00
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implicit none
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BEGIN_DOC
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2009-05-14 17:48:27 +02:00
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! Number of alpha electrons
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2009-10-12 17:37:07 +02:00
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END_DOC
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elec_alpha_num = -1
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call get_electrons_elec_alpha_num(elec_alpha_num)
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if (elec_alpha_num <= 0) then
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call abrt(irp_here,'Number of alpha electrons should be > 0')
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endif
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2009-05-14 17:48:27 +02:00
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END_PROVIDER
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BEGIN_PROVIDER [ integer, elec_beta_num ]
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2009-10-12 17:37:07 +02:00
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implicit none
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BEGIN_DOC
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2009-05-14 17:48:27 +02:00
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! Number of beta electrons
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2009-10-12 17:37:07 +02:00
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END_DOC
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elec_beta_num = 0
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call get_electrons_elec_beta_num(elec_beta_num)
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if (elec_beta_num < 0) then
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call abrt(irp_here,'Number of beta electrons should be >= 0')
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endif
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2009-05-14 17:48:27 +02:00
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END_PROVIDER
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BEGIN_PROVIDER [ integer, elec_num ]
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2009-10-12 17:37:07 +02:00
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implicit none
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BEGIN_DOC
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2009-05-14 17:48:27 +02:00
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! Number of electrons
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2009-10-12 17:37:07 +02:00
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END_DOC
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2009-05-14 17:48:27 +02:00
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2009-10-12 17:37:07 +02:00
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elec_num = elec_alpha_num + elec_beta_num
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ASSERT ( elec_num > 0 )
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2009-05-14 17:48:27 +02:00
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END_PROVIDER
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2009-10-12 17:37:07 +02:00
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2009-05-14 17:48:27 +02:00
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BEGIN_PROVIDER [ integer, elec_num_2, (2) ]
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BEGIN_DOC
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! Number of alpha and beta electrons in an array
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END_DOC
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elec_num_2(1) = elec_alpha_num
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elec_num_2(2) = elec_beta_num
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END_PROVIDER
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