fere

Full name: ase2sprkkr.asr.fere

Description

Fitted elemental reference energies.

Functions

count(pred, ls)

create_corrected_db(newname, db, reactions, ...)

elements_from_refs(refs)

formulas_eq(form1, form2)

get_dE_alpha(db, reactions, refs)

get_hof(db, formula[, query, row])

load_data(reactionsstr, refsstr)

minimize_error(dE, alpha)

multiply_formula(prod, j)

only(pred, ls)

parse_reactions(reactionsstr)

parse_refs(refsstr)

safe_get(db, prod[, query])

select(pred, ls)

single(pred, ls)

unique(ls[, selector])

where(pred, ls)

Exceptions

DBAlreadyExistsError

MaterialNotFoundError

ParseError