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Pull requests: JuliaMolSim/Molly.jl

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Pull requests list

feat: implemented O(1) add_atom! and remove_atom! for System
#265 opened Jun 15, 2026 by rainerrodrigues Contributor • Draft
1
3
Constraints contribution to virial
#264 opened Jun 12, 2026 by allexandre97 Collaborator Loading…
29
Add ANI-2x ML potential with Enzyme AD forces (GSoC 2026)
#260 opened Jun 1, 2026 by sivasathyaseeelan Collaborator Loading…
4 tasks
7
Times Square Sampling
#258 opened May 26, 2026 by allexandre97 Collaborator Loading…
33
LAMMPS Calculator
#213 opened Aug 19, 2025 by ejmeitz Collaborator Loading…
13
Adding a Glue Type / N-Body Empirical Potential - the Finnis-Sinclair 1984 potential for single element systems
#32 opened Mar 21, 2021 by eschmidt42 Loading…
29
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