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subroutine, public | sap_kind_types::release_sap_int (sap_int) |
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subroutine, public | sap_kind_types::get_alist (sap_int, alist, atom) |
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subroutine, public | sap_kind_types::alist_pre_align_blk (blk_in, ldin, blk_out, ldout, ilist, in, jlist, jn) |
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subroutine, public | sap_kind_types::alist_post_align_blk (blk_in, ldin, blk_out, ldout, ilist, in, jlist, jn) |
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subroutine, public | sap_kind_types::sap_sort (sap_int) |
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subroutine, public | sap_kind_types::build_sap_ints (sap_int, sap_ppnl, qs_kind_set, nder, moment_mode, refpoint, particle_set, cell, pseudoatom) |
| Calculate overlap and optionally momenta <a|x^n|p> between GTOs and nl. pseudo potential projectors adapted from core_ppnl.F::build_core_ppnl. More...
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