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Question about the setting and effect of the NX parameter in fix atom/swap
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2
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42
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October 10, 2026
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Molecular dynamics simulation of nanobubble nucleation
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5
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81
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October 7, 2026
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Rigid body distorting during ReaxFF SiO2-SiO2 bonding
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2
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88
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September 29, 2026
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Request for Fogarty 2015 Si/O/H parameter file
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2
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104
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September 25, 2026
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Rhombic distortion of the four-membered ring in a graphene 4–7 defect with REBO/AIREBO
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3
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82
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September 15, 2026
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Performance comparison of LAMMPS MLIAP and Symmetrix across NVIDIA GPUs
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2
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170
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September 3, 2026
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fix electrode/conp: charge alternates sign between layers of a multilayer graphene electrode. Is it expected?
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1
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49
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September 3, 2026
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Simulating the dynamics of active particles in LAMMPS
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2
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84
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August 26, 2026
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Why does the Lammps simulation not reach the end for a lower dumping frequency?
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1
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66
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August 19, 2026
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Lammps KOKKOS fix move, ave/atom, stress/atom issues
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4
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77
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August 18, 2026
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Quantum espresso hardware requirements for supercomputer parallel computing
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1
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62
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August 13, 2026
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Count the number of nonrattlers and output their coordination number
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4
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66
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August 12, 2026
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Can TIP4P water be used with fix electrode/conp and pppm/electrode?
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5
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119
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August 2, 2026
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Beginner in the Field of MD
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1
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92
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July 29, 2026
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Simulated density of amorphous silica is too high
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1
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82
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July 29, 2026
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Sputtering/species count
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3
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130
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July 7, 2026
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Kokkos + 2080 GPU Runs out of Shared Memory with 3 Atomic Species
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5
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170
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July 2, 2026
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Difficulty reproducing published phosphorene thermal conductivity despite generating the reported structure
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4
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113
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June 28, 2026
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Post-simulation analysis- avoiding re-running time integration for missed calculations
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1
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73
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June 27, 2026
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How to apply force
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3
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222
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June 24, 2026
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Instability in GCMC+MD simulations (N fluctuating near zero and NaN errors)
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3
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103
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June 21, 2026
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Elastic constant calculation result is not consistent with temperature
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1
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57
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June 20, 2026
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Langevin/eff thermostat not equilibrating to the target temperature
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1
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59
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June 15, 2026
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GPU acceleration for eam/he potentials
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5
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120
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June 12, 2026
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Green-Kubo estimates of viscosity: using all 9 terms of the deviatoric stress tensor?
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2
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69
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June 12, 2026
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Should grain-boundary energies in CSL bicrystals be computed at fixed in-plane cell vectors or after in-plane stress relaxation?
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1
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82
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June 3, 2026
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Lammps reactive force field not working
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5
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111
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June 3, 2026
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Unexpected behavior when writing restart files
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1
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45
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May 31, 2026
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Automatically scale region when cell rescales
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4
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81
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May 22, 2026
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Need help to fix indentation dump file for DXA analysis
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0
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39
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May 19, 2026
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