tps-torch/muller-brown-ml at main · muhammadhasyim/tps-torch · GitHub

Name		Name	Last commit message	Last commit date
parent directory ..
analysis_scripts		analysis_scripts
examples		examples
mrh_tests		mrh_tests
CMakeLists.txt		CMakeLists.txt
FindTPSTorch.cmake		FindTPSTorch.cmake
README.md		README.md
Sampler.h		Sampler.h
committor_analysis.py		committor_analysis.py
mb_fts.py		mb_fts.py
mb_ml.py		mb_ml.py
muller_brown.cpp		muller_brown.cpp
muller_brown.h		muller_brown.h
mullerbrown.py		mullerbrown.py
mullerbrown_prod.py		mullerbrown_prod.py
mullerbrown_relu.py		mullerbrown_relu.py
mullerbrown_tricky.py		mullerbrown_tricky.py
mysampler.cpp		mysampler.cpp
mysampler.h		mysampler.h
param		param
param_bc		param_bc
param_simple		param_simple
param_tricky		param_tricky
param_tst		param_tst
param_tst_tricky		param_tst_tricky
plot.py		plot.py
plot_tricky.py		plot_tricky.py
plot_tricky_lines.py		plot_tricky_lines.py
plot_tricky_string.py		plot_tricky_string.py
run_cl.py		run_cl.py
run_fts.py		run_fts.py
run_fts_c.py		run_fts_c.py
run_fts_c2.py		run_fts_c2.py
run_vanilla.py		run_vanilla.py
saruprng.hpp		saruprng.hpp
test.py		test.py
test_prod.py		test_prod.py
test_relu.py		test_relu.py
test_sampler.py		test_sampler.py
test_sampler_2.py		test_sampler_2.py
test_tricky.py		test_tricky.py

README.md

This folder implements the PID-BKE method on a Muller-Brown potential. To run, do At the moment, building and installation is just:

mkdir build; cd build
cmake ../
make -j6

Install it or move the created binary wherever you go. The examples/ folder has some test cases, which can be run by entering the folder and

mpirun -np 8 python run.py