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Pull requests: lammps/lammps
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Add ESP: a new FFT-based k-space solver (kspace_style esp) and matching Coulomb pair styles (coul/esp and lj/cut/coul/esp)
kspace_package
#4804
opened Dec 9, 2025 by
LiangJiuyang
•
Draft
10 tasks
GRACE pair style
enhancement
pace_package
#4799
opened Dec 3, 2025 by
yury-lysogorskiy
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8 of 11 tasks
Integrate new pair style RuNNer for evaluation of high-dimensional neural network potentials.
enhancement
#4785
opened Nov 20, 2025 by
lxknll
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16 tasks
Update Kokkos library in LAMMPS to v5.0.0
kokkos_package
update
#4778
opened Nov 17, 2025 by
stanmoore1
•
Draft
Add a doc page note on how to run Monte-Carlo-only simulations efficiently
documentation
#4740
opened Oct 18, 2025 by
sjplimp
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11 tasks
Smooth termination of Coulomb integrals in the Streitz-Mintmire method
enhancement
#4733
opened Oct 16, 2025 by
romangroger
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11 tasks
Gibbs Ensemble Monte Carlo
enhancement
mc_package
#4718
opened Sep 19, 2025 by
andrewykhong
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3 of 11 tasks
Volume and area preserving barostats option
fix_feature
#4680
opened Aug 6, 2025 by
Bibobu
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8 of 11 tasks
MLIAP Unified Generalized Interface
enhancement
kokkos_package
mliap_package
#4673
opened Aug 4, 2025 by
codeformore
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9 tasks
New FENIX package
enhancement
restart_feature
#4652
opened Jul 9, 2025 by
Matthew-Whitlock
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9 of 10 tasks
Proposed enhancement to VerletSplit
kspace_package
replica_package
#4622
opened Jun 11, 2025 by
bcdandurand
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11 tasks
compute unit testing / compute pace refactor for FitSNAP PR #278
#4593
opened May 12, 2025 by
alphataubio
•
Draft
13 of 18 tasks
EXTRA-COMMAND: read_psf, read_sdf, write_pdb
documentation
enhancement
#4245
opened Jul 28, 2024 by
alphataubio
•
Draft
15 of 16 tasks
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