DIIS solver

DIIS module for iterative solvers

DIIS object

perform(diis::Diis, Amps, Res)

Perform DIIS.

combine(diis::Diis, vecfiles, coeffs)

Combine vectors from files with coefficients.

loadamps(diis::Diis, ipos)

Load vectors from file at position ipos.

loadres(diis::Diis, ipos)

Load residuals from file at position ipos.

loadvecs(file)

Load vectors from file.

saveamps(diis::Diis, vecs, ipos)

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

saveres(diis::Diis, vecs, ipos)

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

weighted_dot(diis::Diis, vecs1, vecs2)

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