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Request for COMB3 Al–O Potential File (Choudhary et al., 2015
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3
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25
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March 7, 2026
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Abnormal Force Drop Between Two run Commands in Self-Compiled LAMMPS 20240829 – Suspected Compilation Issue
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8
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36
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March 3, 2026
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SWM4-NDP water model files for LAMMPS/Drude MD (.ff/.zmat/.xyz format)
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3
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24
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February 26, 2026
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Neb lammps visualization
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7
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36
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February 26, 2026
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Help with fix bond/react
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8
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46
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February 25, 2026
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Sawtooth pattern when using run M every N after NPT command
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1
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18
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February 25, 2026
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Kn and Kt (and damping) calculations for pair_style gran/hooke/history
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0
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13
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February 25, 2026
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NEMD temperature spiking to 1000K at grain boundary
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3
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43
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February 24, 2026
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Acceleration for ELECTRODE package
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5
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56
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February 13, 2026
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Computing Hydrogen Bonds in LAMMPS
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8
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108
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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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33
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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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63
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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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107
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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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53
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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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36
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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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25
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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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46
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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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41
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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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156
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January 26, 2026
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Dump reaxff/atom informations
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3
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41
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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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487
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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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51
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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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32
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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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73
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January 17, 2026
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Computation of MSD
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3
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91
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January 9, 2026
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TIP4P/2005f
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8
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252
|
January 7, 2026
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About the atomic temperature of fix ttm/mod
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1
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31
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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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33
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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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36
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January 4, 2026
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About Auto correlation Function
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3
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112
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December 25, 2025
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