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Performance comparison of LAMMPS MLIAP and Symmetrix across NVIDIA GPUs
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2
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98
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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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38
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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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64
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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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47
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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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53
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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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46
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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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50
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August 12, 2026
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Request for Fogarty 2015 Si/O/H parameter file
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1
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56
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August 8, 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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107
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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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74
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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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64
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July 29, 2026
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Sputtering/species count
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3
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91
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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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135
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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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88
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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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59
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June 27, 2026
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How to apply force
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3
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217
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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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79
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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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51
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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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47
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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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93
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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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53
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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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63
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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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102
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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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34
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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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65
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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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34
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May 19, 2026
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Clarification on static (0 K) workflow for piezoelectric and dielectric properties in LAMMPS
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0
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59
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May 7, 2026
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Selecting a Random atom from a Particular group
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2
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68
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May 5, 2026
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script if this part is correct or if there are any errors.
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4
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71
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May 2, 2026
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Query On Deep Learning Based Potential File for using in MD simulations
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2
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77
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April 30, 2026
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