LearningMetaDynamics

On the fly Free Energy Surface learning and phase space sampling

Name		Name	Last commit message	Last commit date
Latest commit History 59 Commits
MD_unconstrained		MD_unconstrained
.gitignore		.gitignore
FUTURE.txt		FUTURE.txt
LICENSE		LICENSE
MDPropagators_addons.py		MDPropagators_addons.py
PES_plotting.py		PES_plotting.py
README.md		README.md
README.requirements		README.requirements
TS_mean.png		TS_mean.png
TS_min.png		TS_min.png
data.input.minim		data.input.minim
energy_mean.png		energy_mean.png
gpfit.py		gpfit.py
grad1dtest.py		grad1dtest.py
ignorance_field.py		ignorance_field.py
input		input
input_md		input_md
lammps2py_interface.py		lammps2py_interface.py
mlsampling.py		mlsampling.py
test_mlsample.py		test_mlsample.py

marcocaccin/LearningMetaDynamics