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https://github.com/LCPQ/quantum_package
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17 lines
468 B
FortranFixed
17 lines
468 B
FortranFixed
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BEGIN_PROVIDER [ integer, n_pt_max_integrals ]
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&BEGIN_PROVIDER [ integer, n_pt_max_i_x]
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implicit none
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integer :: n_pt_sup
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integer :: prim_power_l_max
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include 'constants.F'
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prim_power_l_max = maxval(ao_power)
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n_pt_max_integrals = 24 * prim_power_l_max + 4
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n_pt_max_i_x = 8 * prim_power_l_max
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ASSERT (n_pt_max_i_x-1 <= max_dim)
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if (n_pt_max_i_x-1 > max_dim) then
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print *, 'Increase max_dim in constants.F to ', n_pt_max_i_x-1
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stop 1
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endif
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END_PROVIDER
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