Documentation for module ai_onecenter

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source: ai_onecenter.F
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public Subroutines/Functions:

SUBROUTINE
sg_conf (gmat, rc, k, l, pa, pb)
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SUBROUTINE
sg_coulomb (eri, nu, pa, lab, pc, lcd)
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SUBROUTINE
sg_erf (upmat, l, a, pa, pb)
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SUBROUTINE
sg_erfc (umat, l, a, pa, pb)
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SUBROUTINE
sg_exchange (eri, nu, pa, lac, pb, lbd)
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SUBROUTINE
sg_gpot (vpmat, k, rc, l, pa, pb)
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SUBROUTINE
sg_kinetic (kmat, l, pa, pb)
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SUBROUTINE
sg_kinnuc (umat, l, pa, pb)
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SUBROUTINE
sg_nuclear (umat, l, pa, pb)
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SUBROUTINE
sg_overlap (smat, l, pa, pb)
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SUBROUTINE
sg_proj_ol (spmat, l, p, k, rc)
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SUBROUTINE
sto_kinetic (kmat, l, na, pa, nb, pb)
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SUBROUTINE
sto_nuclear (umat, na, pa, nb, pb)
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SUBROUTINE
sto_overlap (smat, na, pa, nb, pb)
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SUBROUTINEsg_conf(gmat, rc, k, l, pa, pb)

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Arguments:
REAL(dp),
INTENT(out)
:: gmat(:,:) ...
REAL(dp),
INTENT(in)
:: rc ...
INTEGER,
INTENT(in)
:: k ...
INTEGER,
INTENT(in)
:: l ...
REAL(dp),
INTENT(in)
:: pa(:) ...
REAL(dp),
INTENT(in)
:: pb(:) ...

SUBROUTINEsg_coulomb(eri, nu, pa, lab, pc, lcd)

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Arguments:
REAL(dp),
INTENT(out)
:: eri(:,:) ...
INTEGER,
INTENT(in)
:: nu ...
REAL(dp),
INTENT(in)
:: pa(:) ...
INTEGER,
INTENT(in)
:: lab ...
REAL(dp),
INTENT(in)
:: pc(:) ...
INTEGER,
INTENT(in)
:: lcd ...

SUBROUTINEsg_erf(upmat, l, a, pa, pb)

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Arguments:
REAL(dp),
INTENT(out)
:: upmat(:,:) ...
INTEGER,
INTENT(in)
:: l ...
REAL(dp),
INTENT(in)
:: a ...
REAL(dp),
INTENT(in)
:: pa(:) ...
REAL(dp),
INTENT(in)
:: pb(:) ...

SUBROUTINEsg_erfc(umat, l, a, pa, pb)

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Arguments:
REAL(dp),
INTENT(out)
:: umat(:,:) ...
INTEGER,
INTENT(in)
:: l ...
REAL(dp),
INTENT(in)
:: a ...
REAL(dp),
INTENT(in)
:: pa(:) ...
REAL(dp),
INTENT(in)
:: pb(:) ...

SUBROUTINEsg_exchange(eri, nu, pa, lac, pb, lbd)

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Arguments:
REAL(dp),
INTENT(out)
:: eri(:,:) ...
INTEGER,
INTENT(in)
:: nu ...
REAL(dp),
INTENT(in)
:: pa(:) ...
INTEGER,
INTENT(in)
:: lac ...
REAL(dp),
INTENT(in)
:: pb(:) ...
INTEGER,
INTENT(in)
:: lbd ...

SUBROUTINEsg_gpot(vpmat, k, rc, l, pa, pb)

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Arguments:
REAL(dp),
INTENT(out)
:: vpmat(:,:) ...
INTEGER,
INTENT(in)
:: k ...
REAL(dp),
INTENT(in)
:: rc ...
INTEGER,
INTENT(in)
:: l ...
REAL(dp),
INTENT(in)
:: pa(:) ...
REAL(dp),
INTENT(in)
:: pb(:) ...

SUBROUTINEsg_kinetic(kmat, l, pa, pb)

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Arguments:
REAL(dp),
INTENT(out)
:: kmat(:,:) ...
INTEGER,
INTENT(in)
:: l ...
REAL(dp),
INTENT(in)
:: pa(:) ...
REAL(dp),
INTENT(in)
:: pb(:) ...

SUBROUTINEsg_kinnuc(umat, l, pa, pb)

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Arguments:
REAL(dp),
INTENT(out)
:: umat(:,:) ...
INTEGER,
INTENT(in)
:: l ...
REAL(dp),
INTENT(in)
:: pa(:) ...
REAL(dp),
INTENT(in)
:: pb(:) ...

SUBROUTINEsg_nuclear(umat, l, pa, pb)

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Arguments:
REAL(dp),
INTENT(out)
:: umat(:,:) ...
INTEGER,
INTENT(in)
:: l ...
REAL(dp),
INTENT(in)
:: pa(:) ...
REAL(dp),
INTENT(in)
:: pb(:) ...

SUBROUTINEsg_overlap(smat, l, pa, pb)

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Arguments:
REAL(dp),
INTENT(out)
:: smat(:,:) ...
INTEGER,
INTENT(in)
:: l ...
REAL(dp),
INTENT(in)
:: pa(:) ...
REAL(dp),
INTENT(in)
:: pb(:) ...

SUBROUTINEsg_proj_ol(spmat, l, p, k, rc)

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Arguments:
REAL(dp),
INTENT(out)
:: spmat(:) ...
INTEGER,
INTENT(in)
:: l ...
REAL(dp),
INTENT(in)
:: p(:) ...
INTEGER,
INTENT(in)
:: k ...
REAL(dp),
INTENT(in)
:: rc ...

SUBROUTINEsto_kinetic(kmat, l, na, pa, nb, pb)

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Arguments:
REAL(dp),
INTENT(out)
:: kmat(:,:) ...
INTEGER,
INTENT(in)
:: l ...
INTEGER,
INTENT(in)
:: na(:) ...
REAL(dp),
INTENT(in)
:: pa(:) ...
INTEGER,
INTENT(in)
:: nb(:) ...
REAL(dp),
INTENT(in)
:: pb(:) ...

SUBROUTINEsto_nuclear(umat, na, pa, nb, pb)

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Arguments:
REAL(dp),
INTENT(out)
:: umat(:,:) ...
INTEGER,
INTENT(in)
:: na(:) ...
REAL(dp),
INTENT(in)
:: pa(:) ...
INTEGER,
INTENT(in)
:: nb(:) ...
REAL(dp),
INTENT(in)
:: pb(:) ...

SUBROUTINEsto_overlap(smat, na, pa, nb, pb)

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Arguments:
REAL(dp),
INTENT(out)
:: smat(:,:) ...
INTEGER,
INTENT(in)
:: na(:) ...
REAL(dp),
INTENT(in)
:: pa(:) ...
INTEGER,
INTENT(in)
:: nb(:) ...
REAL(dp),
INTENT(in)
:: pb(:) ...