chc

Full name: ase2sprkkr.asr.chc

Module class hierarchy

Inheritance diagram of ase2sprkkr.asr.chc.ConvexHullReference, ase2sprkkr.asr.chc.Hyperplane, ase2sprkkr.asr.chc.Intermediate, ase2sprkkr.asr.chc.LeanIntermediate, ase2sprkkr.asr.chc.Line, ase2sprkkr.asr.chc.Reference, ase2sprkkr.asr.chc.Result

Description

Functions

_permutecontain(t, tls)

append_references(elements, dbs, references)

calculate_intermediates(mat_ref, ...)

chcut_plot(row, *args)

convex_hull(references, mat_ref)

convex_hull_planes(chrefs, mat_formula, ...)

filrefs(refs)

get_coords(ref, elements)

get_hof(formula, energy, db)

gscheck(us)

is_collinear(pts, ind, apts, eqs, sis, oh)

is_independent(v1, v2)

mgs(u0)

mgsls(us)

mu_adjustment(mat_ref, reactant_ref, ...)

orthogonalize(us)

projuv(u, v)

read_structure(fname)

refs2ims(mat_ref, reactant_ref, refs)

results2ref(formula)

row2ref(row, dbs)

tuplespermuted(t1, t2)

webpanel(result, row, key_descriptions)

Classes

ConvexHullReference(*args[, elements])

Hyperplane(pts, references)

Intermediate(references, mat_reference, ...)

LeanIntermediate(mat_reference, ...)

Line(pt1, pt2)

Reference(formula, hform)

Result()

Exceptions

CHCError