dvdson.f90 File Reference

Functions/Subroutines
subroutine	dvdson (IRC, IREV, N, LIM, NOC, ILOW, IHIGH, ISELEC, NIV, MBLOCK, CRITE, CRITC, CRITR, MAXITER, WORK, IWRSZ, IWORK, IIWSZ, HIEND, NLOOPS, IERR)
subroutine	adds (N, LIM, KPASS, NNCV, BASIS, AB, S)
subroutine	dvdrvr (IRC, IREV, N, HIEND, LIM, MBLOCK, NOC, NUME, NIV, NEIG, ISELEC, CRITE, CRITC, CRITR, MAXITER, EIGVAL, BASIS, ORTHOBASIS, AB, S, TEMPS, SVEC, SCRA1, ISCRA2, INCV, ICV, OLDVAL, NLOOPS, IERR)
subroutine	initdvd (IRC, IREV, N, NOC, NIV, NUME, LIM, HIEND, SCRA1, ORTHOBASIS, BASIS, AB, S)
subroutine	multbc (N, K, M, C, TEMP, B)
subroutine	newvec (N, NUME, LIM, MBLOCK, KPASS, CRITR, NNCV, INCV, SVEC, EIGVAL, OLDVAL, AB, BASIS, ICV, SCRA1, EPSIL, DONE)
subroutine	ovflow (N, NUME, KPASS, SCRA1, BASIS, AB, S, SVEC, EIGVAL)
logical function	tstsel (KPASS, NUME, NEIG, ISELEC, SVEC, EIGVAL, ICV, CRITE, CRITC, ROWLAST, IND, OLDVAL, NNCV, INCV)
subroutine	mgs_nrm (n, kp, new, scra, b)

Function/Subroutine Documentation

adds()

subroutine adds	(	integer	N,
		integer, intent(in)	LIM,
		integer, intent(in)	KPASS,
		integer, intent(in)	NNCV,
		real(double), dimension(n*lim)	BASIS,
		real(double), dimension(n*lim)	AB,
		real(double), dimension(lim*(lim + 1)/2), intent(out)	S
	)

dvdrvr()

subroutine dvdrvr	(	integer, intent(inout)	IRC,
		integer, dimension(*), intent(out)	IREV,
		integer	N,
		logical, intent(in)	HIEND,
		integer	LIM,
		integer	MBLOCK,
		integer, intent(in)	NOC,
		integer	NUME,
		integer, intent(in)	NIV,
		integer	NEIG,
		integer, dimension(neig)	ISELEC,
		real(double)	CRITE,
		real(double)	CRITC,
		real(double)	CRITR,
		integer, intent(in)	MAXITER,
		real(double), dimension(lim)	EIGVAL,
		real(double), dimension(n*lim)	BASIS,
		real(double), dimension(n*lim + noc*n)	ORTHOBASIS,
		real(double), dimension(n*lim)	AB,
		real(double), dimension(lim*(lim + 1)/2)	S,
		real(double), dimension(lim*(lim + 1)/2)	TEMPS,
		real(double), dimension(lim*lim)	SVEC,
		real(double), dimension(8*lim)	SCRA1,
		integer, dimension(5*lim)	ISCRA2,
		integer, dimension(lim)	INCV,
		integer, dimension(nume + 1)	ICV,
		real(double), dimension(nume + 1)	OLDVAL,
		integer, intent(inout)	NLOOPS,
		integer, intent(inout)	IERR
	)

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dvdson()

subroutine dvdson	(	integer	IRC,
		integer, dimension(*)	IREV,
		integer	N,
		integer	LIM,
		integer	NOC,
		integer, intent(inout)	ILOW,
		integer, intent(inout)	IHIGH,
		integer, dimension(lim)	ISELEC,
		integer	NIV,
		integer	MBLOCK,
		real(double)	CRITE,
		real(double)	CRITC,
		real(double)	CRITR,
		integer	MAXITER,
		real(double), dimension(iwrsz)	WORK,
		integer, intent(in)	IWRSZ,
		integer, dimension(iiwsz)	IWORK,
		integer, intent(in)	IIWSZ,
		logical	HIEND,
		integer	NLOOPS,
		integer	IERR
	)

initdvd()

subroutine initdvd	(	integer, intent(inout)	IRC,
		integer, dimension(*), intent(out)	IREV,
		integer	N,
		integer, intent(in)	NOC,
		integer	NIV,
		integer, intent(in)	NUME,
		integer	LIM,
		logical, intent(in)	HIEND,
		real(double), dimension(*)	SCRA1,
		real(double), dimension(n*(noc + lim))	ORTHOBASIS,
		real(double), dimension(n*lim)	BASIS,
		real(double), dimension(n*lim)	AB,
		real(double), dimension(*)	S
	)

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mgs_nrm()

subroutine mgs_nrm	(	integer	n,
		integer, intent(in)	kp,
		integer	new,
		real(double), dimension(new)	scra,
		real(double), dimension((kp + new)*n)	b
	)

multbc()

subroutine multbc	(	integer	N,
		integer	K,
		integer	M,
		real(double), dimension(k*m)	C,
		real(double), dimension(m)	TEMP,
		real(double), dimension(n*k)	B
	)

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newvec()

subroutine newvec	(	integer	N,
		integer, intent(in)	NUME,
		integer, intent(in)	LIM,
		integer, intent(in)	MBLOCK,
		integer	KPASS,
		real(double), intent(in)	CRITR,
		integer, intent(inout)	NNCV,
		integer, dimension(nume), intent(inout)	INCV,
		real(double), dimension(lim*nume)	SVEC,
		real(double), dimension(lim), intent(in)	EIGVAL,
		real(double), dimension(nume), intent(in)	OLDVAL,
		real(double), dimension(n*lim)	AB,
		real(double), dimension(n*lim)	BASIS,
		integer, dimension(nume), intent(out)	ICV,
		real(double), dimension(lim), intent(inout)	SCRA1,
		real(double), dimension(lim), intent(out)	EPSIL,
		logical, intent(out)	DONE
	)

ovflow()

subroutine ovflow	(	integer	N,
		integer	NUME,
		integer	KPASS,
		real(double), dimension(nume)	SCRA1,
		real(double), dimension(n*kpass)	BASIS,
		real(double), dimension(n*kpass)	AB,
		real(double), dimension((kpass*(kpass + 1))/2)	S,
		real(double), dimension(kpass*nume)	SVEC,
		real(double), dimension(kpass), intent(in)	EIGVAL
	)

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tstsel()

logical function tstsel	(	integer, intent(in)	KPASS,
		integer, intent(in)	NUME,
		integer, intent(in)	NEIG,
		integer, dimension(neig), intent(in)	ISELEC,
		real(double), dimension(kpass*nume), intent(in)	SVEC,
		real(double), dimension(nume), intent(in)	EIGVAL,
		integer, dimension(nume), intent(out)	ICV,
		real(double), intent(in)	CRITE,
		real(double), intent(in)	CRITC,
		real(double), dimension(neig)	ROWLAST,
		integer, dimension(neig), intent(inout)	IND,
		real(double), dimension(nume), intent(in)	OLDVAL,
		integer, intent(inout)	NNCV,
		integer, dimension(neig), intent(out)	INCV
	)