lgtm-migrator / alftools

alftools

alftools is an alternative to the pyalf package provided by the ALF team.

🔧 Installation

Install via pip from github:

pip install git+https://github.com/dylanljones/alftools.git@VERSION

or download/clone the package, navigate to the root directory and install via

pip install .

🚀 Quick-Start

Running simulations

A new sdimulation can be run in a few steps:

from alftools import Simulation

directory = "test"

# Create the simulation directory
sim = Simulation(directory)
sim.init(start_dir="Start")

# Update simulation parameters
params = sim.parameters
params.set_qmc("nbin", 100)
params.set_qmc("nsweep", 50)
params.set_hubbard("ham_u", 1.0)
...
params.save()

# Run simulation
sim.run()

An existing simulation can be continued as follows:

sim.out_to_in()
sim.run()