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subroutine, public | generic_os_integrals::int_operators_r12_ab_os (r12_operator, vab, dvab, rab, fba, fbb, omega, r_cutoff, calculate_forces) |
| Calcululates the two-center integrals of the type (a|O(r12)|b) using the OS scheme.
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subroutine, public | generic_os_integrals::int_overlap_ab_os (sab, dsab, rab, fba, fbb, calculate_forces, debug, dmax) |
| calculate overlap integrals (a,b)
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subroutine, public | generic_os_integrals::int_ra2m_ab_os (sab, dsab, rab, fba, fbb, m, calculate_forces) |
| calculate integrals (a|(r-Ra)^(2m)|b)
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subroutine, public | generic_os_integrals::int_overlap_aba_os (abaint, dabdaint, rab, oba, obb, fba, calculate_forces, debug, dmax) |
| calculate integrals (a,b,fa)
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subroutine, public | generic_os_integrals::int_overlap_abb_os (abbint, dabbint, rab, oba, obb, fbb, calculate_forces, debug, dmax) |
| calculate integrals (a,b,fb)
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subroutine, public | generic_os_integrals::int_overlap_aabb_os (saabb, oba, obb, rab, debug, dmax) |
| calculate overlap integrals (aa,bb)
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