Documentation for 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.

source: hfx_contract_block.F
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public Subroutines/Functions:

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SUBROUTINEcontract_block(ma_max, mb_max, mc_max, md_max, kbd, kbc, kad, kac, pbd, pbc, pad, pac, prim, scale)

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Arguments:
INTEGER
:: ma_max ...
INTEGER
:: mb_max ...
INTEGER
:: mc_max ...
INTEGER
:: md_max ...
REAL(dp)
:: kbd(mb_max*md_max) ...
REAL(dp)
:: kbc(mb_max*mc_max) ...
REAL(dp)
:: kad(ma_max*md_max) ...
REAL(dp)
:: kac(ma_max*mc_max) ...
REAL(dp)
:: pbd(mb_max*md_max) ...
REAL(dp)
:: pbc(mb_max*mc_max) ...
REAL(dp)
:: pad(ma_max*md_max) ...
REAL(dp)
:: pac(ma_max*mc_max) ...
REAL(dp)
:: prim(ma_max*mb_max*mc_max*md_max) ...
REAL(dp)
:: scale ...