PySCF Analyzer#
- class nexus.pyscf_analyzer.PyscfAnalyzer(sim)[source]#
Bases:
NullSimulationAnalyzer- Attributes:
- working_directory
Methods
copy()enter(directory, *[, changedir, msg])Have Nexus enter a directory and change its current working directory.
nxs_print(*texts[, n, progress])Write text to standard output.
save([filepath])analyze
clear
error
items
keys
leave
load
mem_usage
update
values
warn