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README
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README
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NN3DHO - Neural Network 3D Harmonic Oscillator
NN3DHO is a Fortran code to solve the quantum 3D harmonic oscillator using
neural networks as trial wave function and variational quantum Monte Carlo.
The Trial neural network wavefunction is written as:
\Psi ( \vec r ) = \Phi_{NN} ( \vec R ) / ( alpha**2 + r**2 )**2
where \Phi_{NN} is the neural network output.
The neural network implentation is a modified version of:
@article{10.1145/3323057.3323059,
author = {Curcic, Milan},
title = {A Parallel Fortran Framework for Neural Networks and Deep Learning},
year = {2019},
issue_date = {December 2018},
publisher = {Association for Computing Machinery},
address = {New York, NY, USA},
volume = {38},
number = {1},
issn = {1061-7264},
url = {https://doi.org/10.1145/3323057.3323059},
doi = {10.1145/3323057.3323059},
}
The random number generator used is from SPRNG library.
More details in http://www.sprng.org/
Requirements
- SPRNG, The Scalable Parallel Random Number Generators Library
Compiling the code:
---
Set the correct path to the SPRNG library using the variable SPRDIR in
the makefile.
---
make
Running the code:
Consider PATH_NN3DHO to be the path to the main folder of the program.
After compiling successfully, there will a folder called "bin" on the
PATH_NN3DHO. Inside "bin", there will be the executable 'nn3dho.run'.
To run the code, you just need to execute nn3dho.run
>> PATH_NN3DHO/bin/nn3dho.run
If you are inside the folder examples, for instance, you can run the command:
>> ../bin/nn3dho.run
The program reads the file '3dhonn.in' inside the folder where the program was
run. This file must have the same structure as the file inside the folder
examples. If there is not a file called '3dhonn.in' on the folder, default
parameters will be used.