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Pull requests: llnl/mgmol

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Pull requests list

Loosen tolerance on ForcesSymmetry test
#438 opened May 15, 2026 by jeanlucf22 Collaborator Loading…
Tune tolerance on polarizability test
#437 opened May 15, 2026 by jeanlucf22 Collaborator Loading…
ROMFPMD_CLEAN rebased on release (#433)
#434 opened May 12, 2026 by jeanlucf22 Collaborator • Draft
Rebase dipole
#430 opened May 12, 2026 by jeanlucf22 Collaborator • Draft
Merge release 20251210
#400 opened Dec 18, 2025 by jeanlucf22 Collaborator • Draft
Update histogram plots
#372 opened Oct 28, 2025 by siuwuncheung Member Loading…
Offline computations for 64 water molecules
#349 opened Jul 14, 2025 by siuwuncheung Member Loading…
@siuwuncheung
4
Extrapolation of density matrix in ROM MVP solver
#345 opened Jun 30, 2025 by siuwuncheung Member Loading…
DEIM approximation of ion density
#344 opened May 20, 2025 by siuwuncheung Member • Draft
@siuwuncheung
Online ROM prediction for Hartree Poisson equation
#286 opened Oct 24, 2024 by dreamer2368 Collaborator • Draft
Add driver based on external LBFGS implementation
#269 opened Aug 9, 2024 by jeanlucf22 Collaborator • Draft
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