qmcpack/examples/afqmc/04-N2_nomsd/gen_input.py

15 lines
292 B
Python
Executable File

#!/usr/bin/env python3
from afqmctools.utils.qmcpack_utils import write_xml_input
options = {
"execute": {
"nWalkers": 10,
"blocks": 100,
"timestep": 0.01
}
}
write_xml_input("afqmc.xml", "afqmc.h5", "afqmc.h5",
options=options, rng_seed=7)