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Computing Hydrogen Bonds in LAMMPS
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8
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139
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February 12, 2026
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Working mechanism of Langevin and deformation syntax
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1
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45
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February 11, 2026
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How to compute spatial resolved heat flux (per chunk) in LAMMPS?
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4
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75
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February 10, 2026
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Lammps rerun failed with read_dump error
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6
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123
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February 3, 2026
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Sensitivity of Heat Flux Results to Initial Conditions in Molecular Dynamics Simulations
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4
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57
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February 2, 2026
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How to prevent box length change in non-periodic directions in LAMMPS?
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2
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44
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January 31, 2026
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LAMMPS Error: Lost atoms in Al + 1H tensile simulation using MEAM potential
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1
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33
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January 30, 2026
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Situational error: atoms have moved too far apart
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2
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60
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January 30, 2026
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Error Lammps: MPI_ABORT was invoked on rank 0 in communicator MPI_COMM_WORLD with errorcode 1.
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4
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48
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January 29, 2026
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Crosslinking MPD-TMA using bond/react
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12
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183
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January 26, 2026
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Dump reaxff/atom informations
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3
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52
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January 23, 2026
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Mu, mu_id, mu_ex, fix widom and fix gcmc
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2
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496
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January 20, 2026
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Unphysical Temperature Rise in Water Flash Evaporation Simulation with LAMMPS
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6
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73
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January 19, 2026
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Issue with MEAM potential availability and fix atom/swap for Al–Si–Cu–Mg–Fe and Al-Mg-Zrsystem
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1
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60
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January 17, 2026
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Problem regarding fix atom/swap
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7
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81
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January 17, 2026
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Computation of MSD
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3
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104
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January 9, 2026
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TIP4P/2005f
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8
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297
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January 7, 2026
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About the atomic temperature of fix ttm/mod
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1
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35
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January 6, 2026
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A representative ESA oligomer model (e.g., C₁₉H₂₂O₅ or C₅₇H₆₂O₁₅) is commonly used for DFT-based parameterization because it better captures polymer connectivity and local chemical environment than small monomeric model compounds
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1
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44
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January 4, 2026
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How to make selected atom types oscillate around fixed positions in LJ system?
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1
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43
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January 4, 2026
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About Auto correlation Function
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3
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138
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December 25, 2025
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Sputtering/species count
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1
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40
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December 24, 2025
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The “bond atom missing” error arises when using LAMMPS’s bond/react module, which involves a three-step reaction.
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8
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111
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December 18, 2025
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PPPM out of range
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3
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68
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December 18, 2025
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Error in Velocity direction updating particles group
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0
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57
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December 18, 2025
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Flush writes to the log file?
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5
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535
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December 16, 2025
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Friction Coefficient Calculations
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1
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896
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November 26, 2022
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Bond atoms 16825 16826 missing
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1
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40
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December 10, 2025
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The energy explosion problem in LAMMPS
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2
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74
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December 10, 2025
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Neighbor skin command
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1
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37
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December 9, 2025
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