This folder contains a simple benchmark case on how to run the program and how the
input file should look like.
The best test case is to run the simplefit.dat file using the simplefit.f90 code.
This input file is set up as follows:
8 2 # number of data entries and order of polynomial
0.001 -2.89017 0.00073621
0.002 -2.88946 0.00052732
0.005 -2.89067 0.00055038
0.010 -2.89091 0.00040973
0.015 -2.89084 0.00034278
0.02 -2.89086 0.00029315
0.025 -2.89059 0.00034278
0.03 -2.89077 0.00025017
The present input file stems from a variational Monte Carlo calculation of the ground
state energy (second column). It contains also the standard deviation (3rd column)
The first column is the time step used in importance sampling. Extrapolating to zero
should give the best estimate for the VMC energy.
Run the code as executable < inputfile > outputfile after having compiled and linked the source
files.
mhjensen