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Can TIP4P water be used with fix electrode/conp and pppm/electrode?
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2
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22
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July 10, 2026
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Sputtering/species count
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3
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65
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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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89
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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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62
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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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38
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June 27, 2026
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How to apply force
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3
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193
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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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50
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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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38
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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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33
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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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49
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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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37
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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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45
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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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71
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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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24
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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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35
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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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28
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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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50
|
May 7, 2026
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Selecting a Random atom from a Particular group
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2
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55
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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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54
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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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58
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April 30, 2026
|
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Understanding negative group/group electrostatic energy for like-charged graphene sheet
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1
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45
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April 29, 2026
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Minimization change the energy trend of bending graphene with different curvature
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2
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49
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April 29, 2026
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Gas adsorption: fix rigid/npt/small + fix nvt
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2
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54
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April 24, 2026
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Simulation of single electrode with electrolyte
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7
|
505
|
April 23, 2026
|
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Surface free energy simulation methodology query
|
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5
|
70
|
April 21, 2026
|
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Lammps xrd get worse with smaller c parameters?
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7
|
600
|
April 20, 2026
|
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Clarification on dynamical_matrix output units for regular and eskm with units metal
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2
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48
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April 16, 2026
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Modeling interlayer LJ interactions with full periodic boundary conditions for single CG sheet
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2
|
47
|
April 16, 2026
|
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Shear stress calculation
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17
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2781
|
April 15, 2026
|
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GCMC with rigid TIP4P
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|
1
|
60
|
April 14, 2026
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