(git:e7e05ae)
hfx_contract_block.F File Reference

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Modules

module  hfx_contract_block
 routines to contract density matrix blocks with the for center integrals to yield the Kohn-Sham matrix. The specialized routines are about 1.2-2.0 as fast as the default one.
 

Functions/Subroutines

subroutine, public hfx_contract_block::contract_block (ma_max, mb_max, mc_max, md_max, kbd, kbc, kad, kac, pbd, pbc, pad, pac, prim, scale)
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