This release is a pre-release and may not be stable for production use.
For uv add plumed use
export CC=gcc
export CXX=g++
and use something like the following env.yaml.
global:
PLUMED_KERNEL: /data/fzills/tools/plumed2/bin/lib/libplumedKernel.so
TODO: you can do great committer analysis, finding all the structures close to the TS CVs and then use laufband to run short MD with all those and all of them with different velocity initializations and check if they go to educt / product. The ratio / the committor should be close to 1:1 for the TS CVs.
Metadata
Release files for plumed-nodes 0.1.0a6
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Source distribution (sdist)
| File | Size | Uploaded | Provenance | |
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| plumed_nodes-0.1.0a6.tar.gz | 223.8 kB | Without provenance | Details |
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| File | Interpreter | ABI | Platform | Reset |
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| plumed_nodes-0.1.0a6-py3-none-any.whl | Python 3 | none | any | Details |
Total release size: 238.0 kB
Release files / plumed_nodes-0.1.0a6.tar.gz
| Download URL | plumed_nodes-0.1.0a6.tar.gz |
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| Size | 223.8 kB |
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Release files / plumed_nodes-0.1.0a6-py3-none-any.whl
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| Size | 14.2 kB |
| Tags | Python 3 |
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