Project ID: plumID:19.075
Name: PYCV - a PLUMED 2 Module Enabling the Rapid Prototyping of Collective Variables in Python
Archive: https://github.com/giorginolab/plumed2-pycv/releases/download/v2.6-pycv-v1.5/pycv-plumed-nest.zip
Category: other
Keywords: Python, automatic differentiation
PLUMED version: 2.5.2-mod
Contributor: Toni Giorgino
Submitted on: 18 Oct 2019
Publication: T. Giorgino, PYCV: a PLUMED 2 Module Enabling the Rapid Prototyping of Collective Variables in Python, Journal of Open Source Software 4, 1773 (2019)

PLUMED input files

File Compatible with
regtest/pycv/rt-1/plumed.dat tested on v2.6 tested on master with custom code
regtest/pycv/rt-2/plumed.dat tested on v2.6 tested on master with custom code
regtest/pycv/rt-3/plumed.dat tested on v2.6 tested on master with custom code
regtest/pycv/rt-f1/plumed.dat tested on v2.6 tested on master with custom code
regtest/pycv/rt-f2/plumed.dat tested on v2.6 tested on master with custom code
regtest/pycv/rt-jax1/plumed.dat tested on v2.6 tested on master with custom code
regtest/pycv/rt-jax2/plumed.dat tested on v2.6 tested on master with custom code
regtest/pycv/rt-jax3/plumed.dat tested on v2.6 tested on master with custom code
regtest/pycv/rt-multi-1/plumed.dat tested on v2.6 tested on master with custom code
regtest/pycv/rt-multi-2-jax/plumed.dat tested on v2.6 tested on master with custom code
src/pycv/plumed-nest/plumed-nest-readme.dat tested on v2.6 tested on master with custom code

Last tested: 07 Nov 2019, 21:17:50

Project description and instructions
Requires Python 3. Modules jax and jaxlib recommended for auto-differentiation. See here.

Submission history
[v1] 18 Oct 2019: original submission

Badge
Click on the image below and get the code to add the badge to your website!
plumeDnest:19.075