congen_driver.f90 File Reference

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Modules
module	congen_driver
	Main CONGEN subroutines.

Functions/Subroutines
subroutine, public	congen_driver::csfgen
	Central CONGEN subroutine. More...
subroutine, private	congen_driver::csfout (ia, ib, megul, nndel, cr, nr)
	Store the wave function to file and reset arrays. More...
subroutine, private	congen_driver::getcon (ntcon, nshcon, nrcon, nshgmx, npmax, nc, nelecg, nsym, nobt, nob, nobi, nsoi, shlmx1, exref, tcon, refcon, error)
	Check tcon data and form refcon array. More...
subroutine, private	congen_driver::getcup (nshlt, def, nd, nshlp, cup, error)
	Set up coupling scheme. More...
subroutine, private	congen_driver::getref (reforb, refgu, nrefo, nelec, refdet, nelr, nsoi, nob, shlmx, nsym, symtyp, nrfomx, e1, e2, e3)
	Form reference list of spin-orbital numbers. More...
subroutine, private	congen_driver::icgcf
	Precomputes needed binomial coefficients. More...
subroutine, private	congen_driver::stwrit (nelect, confpf, qntot, cdimx, icdi, ntso, symtyp, ndimx, indi, nrefo, nodimx, inodi, nsym, gutot, nbmx, isz, navail, idiag, megu, thres, lcdt, megul, lndt, nfto, nrerun, ltri, npflg, nndel, nob, nsoi, nsymp, refdet, nerfs, erfs, nrefop, reforb, refgu, nelp, lpp, sname, error, byproj, lndo, lcdo, iposit, nob0, npmult, ntgsym, mxtarg, nobe, nobp, nobv)
	Write information obtained from &state. More...
subroutine, private	congen_driver::subdel (ndel, ndel1, ndel2, nndel)
	Read CSFs from input stream. More...
subroutine, private	congen_driver::wfnin (nwfngp, nadel, nncsf, ncsf, lcdi, lndi, nelecg, ndprod, nrefog, npcupf, negmax, refdtg, nrfgmx, refgug, ntcon, reforg, nshgmx, nsymmx, mshl, gushl, pqn, cup, ndpmax, nshlp, nconmx, test, nrcon, nshcon, tcon, errorg)
	Set defaults for wave function group parameters. More...
subroutine, private	congen_driver::wfnin0 (nelecp, defltc, nerfg, erfg, gname, qntar, errorg, ndpmax)
	Defaults to be reset before every wfngrp. More...
subroutine, private	congen_driver::wrnmlt (k, sname, nrerun, megul, symtyp, mgvn, s, sz, r, pin, ncsf, byproj, lcdi, lndi, lcdo, lndo, lcdt, lndt, nfto, ltri, idiag, npflg, thres, nelect, nsym, nob, refdet, nftw, iposit, nob0, nobl, nob0l, nx, nobe, nobp, nobv)
	Final text information output. More...
subroutine, private	congen_driver::wvwrit (nwfngp, gname, nelecg, defltc, irfcon, ndprod, symtyp, ntcon, navail, nrefog, nelecp, nshlp, qntar, nshlpt, nshgmx, mshl, gushl, pqn, cup, ncupp, npcupf, refdtg, nelp, ntconp, nshcon, nobt, reforb, refgu, test, nrcon, tcon, refcon, nerfg, erfg, ndpp, nrefop, errorg)
	Display information about the wave function group. More...