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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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35
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March 3, 2026
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Simulation freezes during water insertion GCMC-MD simulation
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9
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66
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March 2, 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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Installation of lammps
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6
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74
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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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Atom selection around specific atoms
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2
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25
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February 24, 2026
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Writing output files in the run directory?
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0
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13
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February 24, 2026
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Simulation of solutions of paramagnetic ions
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3
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56
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February 17, 2026
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Suggestions for LAMMPS Visualization Howto
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13
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199
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February 6, 2026
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Using `func` in place of `energy` in `sqs2tdb` 3.50
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0
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17
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February 2, 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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How to define user force fields with EMC
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8
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131
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January 28, 2026
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All pair coeffs are not set.
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1
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55
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January 28, 2026
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Guidelines and suggestions for the eOn subforum
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1
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16
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January 28, 2026
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Ensemble or single seed for gold nanorod growth study
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1
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17
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January 22, 2026
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About boundary conditions
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2
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50
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January 21, 2026
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Issue with ASE's ORCA Output Parsing: Missing "CENTER OF MASS" Line Causes Dipole Moment Calculation Error
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0
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18
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January 11, 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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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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Using CVFF forcefield with Enhanced Monte Carlo
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3
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68
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January 3, 2026
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Perovskite phase recreation help
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0
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21
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December 30, 2025
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File structure of the *.frc file
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5
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40
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December 29, 2025
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Shape factor for compounds
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4
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59
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December 19, 2025
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Running perfactly in mpirun -np 40 but giving error while running in 3 node each 40 core
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3
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62
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December 18, 2025
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Particle properties in Ovito
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3
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55
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December 18, 2025
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Ring Polymer tangential Force calculation
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1
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36
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December 17, 2025
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Fix_ttm for laser ablative
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0
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33
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December 17, 2025
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Transverse acoustic modes in S(q,w) and C(q,w)
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6
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80
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December 17, 2025
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Quick Introduction Question
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5
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45
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December 2, 2025
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