script/u_ctqmc.py

Introduction

The purpose of this script is to generate essential input file (solver.ctqmc.in) for the quantum impurity solver components. Note that you can not use it to control these codes directly.

Type

Python module

APIs

class p_ctqmc_solver(object):
    """ This class can be used to generate the config file for the quantum
        impurity solver components.
    """

    def __init__(self, solver):
        """ define the class variables
        """

    def setp(self, **kwargs):
        """ setup the parameters using a series of key-value pairs
        """

    def check(self):
        """ check the correctness of input parameters
        """
        
    def write(self):
        """ write the parameters to the config file: solver.ctqmc.in
        """

Examples

# import this module
from u_ctqmc import *

# create an instance
p = p_ctqmc_solver('manjushaka')

# setup the parameters
p.setp(isscf = 2, isort = 1, nsweep = 10000000)
p.setp(mune = 2.0, nmaxi = 10)
p.setp()
p.setp(isscf = 1)

# verify the parameters
p.check()

# generate the solver.ctqmc.in file
p.write()

# destroy the instance
del p

$ python u_ctqmc.py

Comment

N/A