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