asap3

ASAP - classical potentials for MD with ASE.

Installation

In a virtualenv (see these instructions if you need to create one):

sudo apt install libopenmpi3 libhwloc15 libevent-pthreads-2.1-7
pip3 install asap3

Dependencies

Releases

Version Released Bullseye
Python 3.9
Bookworm
Python 3.11
Trixie
Python 3.13
Files
3.13.7 2025-04-05      
3.13.6 2025-01-31      
3.13.5 2024-10-11      
3.13.4 2024-02-28      
3.13.3 2024-01-30      
3.13.2 2023-10-20      
3.13.1 2023-06-20      
3.12.12 2022-10-04      
3.12.11 2022-10-04      
3.12.8 2021-04-28      
3.12.7 2021-04-21      
3.12.3 2021-03-22      
3.12.2 2021-02-02      
3.12.1 2021-01-29      
3.11.10 2019-08-15      
3.11.9 2019-04-05      
3.11.8 2019-04-05      
3.11.6 2019-02-08      
3.11.5 2019-02-01      
3.11.3 2018-12-21      
3.10.10 2018-05-02      
3.10.8 2017-12-06      
3.10.7 2017-10-06      
3.10.6 2017-03-29      
3.10.5 2017-02-08      
3.10.3 2016-11-21      
3.10.2 2016-11-17      
3.10.0 2016-10-26      
3.9.6 2016-10-26      

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Page last updated 2025-09-06 15:31:39 UTC