EZFCF Wrapper

class esteem.wrappers.ezfcf.ezFCFWrapper(temp=300, threshold=0.001, max_vib_init=1, max_vib_target=4, initial_state_thresh=0.1, target_state_thresh=0.4, xml_filename='ezfcf.xml', ez_exec='~/ezSpectrum_2021/bin/ezFCF_linux.exe')

Writes input xml files for ezFCF, runs them, and reads results

write_state_xml_file(xmlF, data: dict, which_state: str)

Write the state to the xml file.