JSON

Input File

Description

json/schema-1-energy

test QCSchema for energy

json/schema-1-throws

test QCSchema noncontiguous mol

json/schema-1-gradient

test QCSchema for gradient

json/schema-1-ghost

test QCSchema with ghost atoms

json/schema-1-response

test QCSchema for response properties

json/schema-1-properties

test QCSchema for properties

json/schema-1-tamps

test QCSchema for CCSD amplitudes saving

json/schema-1-orient

test QCSchema mol orientation