How to make a database file

In this page, the procedure to update the database is explained.

1. Compute the solution of the basis functions, and make a reference data by using irlib.

It is convenient to use a sample script generate.py in irlib to compute basis functions and generate a reference data.

For example, the following script will make basis_f-mp-Lambda10000.0.txt.

from __future__ import print_function

import numpy
import irlib

# Compute basis functions very accurately

max_dim = 1000
cutoff = 1e-8
r_tol = 1e-8
verbose = True
prec = 64
n_local_poly = 8
n_gl_node = 24

## Construct basis
statis = 'F'
for Lambda in [10000.0]:
    print("Computing basis functions... It may take some time")
    if statis == 'F':
        b = irlib.compute_basis(irlib.FERMIONIC, Lambda, max_dim, cutoff, "mp", r_tol, prec, n_local_poly, n_gl_node, verbose)
        irlib.savetxt("basis_f-mp-Lambda"+str(Lambda)+".txt", b)
    else:
        b = irlib.compute_basis(irlib.BOSONIC, Lambda, max_dim, cutoff, "mp", r_tol, prec, n_local_poly, n_gl_node, verbose)
        irlib.savetxt("basis_b-mp-Lambda"+str(Lambda)+".txt", b)
    print("Done!")

You can easily obtain new data by changing parameters

max_dim
cutoff
r_tol
prec
n_local_poly
n_gl_node

and Lambda.

2. Update database

After making a reference data, you can store the data in hdf5 file by using make_h5.py in the database folder. The optional arguments of make_h5.py are

  -h, --help            show this help message and exit
  -o OUTPUTFILE, --output OUTPUTFILE
                        Path to output hdf5 file. (default: irbasis.h5)
  -i INPUTFILE, --input INPUTFILE
                        Path to input file. (essential)
  -l LAMBDA, --lambda LAMBDA
                        Value of lambda. (essential)
  -p PREFIX, --prefix PREFIX
                        Data will be stored in this HF5 group. (essential)

For example, you can update/create irbasis.h5 by using the following command.

$ python make_h5.py -i basis_f-mp-Lambda10000.0.txt -p basis_f-mp-Lambda10000.0 -l 10000.0