qmhub.QMMM

class qmhub.QMMM(mode, driver=None, cwd=None)

__init__(mode, driver=None, cwd=None)

Methods

__init__(mode[, driver, cwd])
add_engine(engine[, name, group_name, cwd, ...])
build_model([switching_type, cutoff, ...])
load_system(input[, save_input])
return_results([output])
setup_simulation([protocol])