DIIS solver

ElemCo.DIISModule

DIIS module for iterative solvers

Main structure

Exported functions

Internal functions

ElemCo.DIIS.combineMethod
combine(diis::Diis, vecfiles, coeffs)

Combine vectors from files with coefficients.

ElemCo.DIIS.loadresMethod
loadres(diis::Diis, ipos)

Load residuals from file at position ipos.

ElemCo.DIIS.saveampsMethod
saveamps(diis::Diis, vecs, ipos)

Save vectors to file (replacing previous vectors at position ipos).

ElemCo.DIIS.saveresMethod
saveres(diis::Diis, vecs, ipos)

Save residuals to file (replacing previous residuals at position ipos).

ElemCo.DIIS.weighted_dotMethod
weighted_dot(diis::Diis, vecs1, vecs2)

Compute weighted (with diis.weights) dot product of vectors.