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Sputtering/species count
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3
|
59
|
July 7, 2026
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Kokkos + 2080 GPU Runs out of Shared Memory with 3 Atomic Species
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5
|
83
|
July 2, 2026
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Difficulty reproducing published phosphorene thermal conductivity despite generating the reported structure
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4
|
59
|
June 28, 2026
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Post-simulation analysis- avoiding re-running time integration for missed calculations
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1
|
37
|
June 27, 2026
|
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How to apply force
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3
|
190
|
June 24, 2026
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Instability in GCMC+MD simulations (N fluctuating near zero and NaN errors)
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3
|
45
|
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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36
|
June 20, 2026
|
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Langevin/eff thermostat not equilibrating to the target temperature
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1
|
32
|
June 15, 2026
|
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GPU acceleration for eam/he potentials
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5
|
44
|
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
|
32
|
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
|
40
|
June 3, 2026
|
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Lammps reactive force field not working
|
|
5
|
65
|
June 3, 2026
|
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Unexpected behavior when writing restart files
|
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1
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23
|
May 31, 2026
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Automatically scale region when cell rescales
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4
|
33
|
May 22, 2026
|
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Need help to fix indentation dump file for DXA analysis
|
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0
|
28
|
May 19, 2026
|
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Clarification on static (0 K) workflow for piezoelectric and dielectric properties in LAMMPS
|
|
0
|
48
|
May 7, 2026
|
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Selecting a Random atom from a Particular group
|
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2
|
50
|
May 5, 2026
|
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script if this part is correct or if there are any errors.
|
|
4
|
51
|
May 2, 2026
|
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Query On Deep Learning Based Potential File for using in MD simulations
|
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2
|
56
|
April 30, 2026
|
|
Understanding negative group/group electrostatic energy for like-charged graphene sheet
|
|
1
|
44
|
April 29, 2026
|
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Minimization change the energy trend of bending graphene with different curvature
|
|
2
|
49
|
April 29, 2026
|
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Gas adsorption: fix rigid/npt/small + fix nvt
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|
2
|
49
|
April 24, 2026
|
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Simulation of single electrode with electrolyte
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|
7
|
502
|
April 23, 2026
|
|
Surface free energy simulation methodology query
|
|
5
|
68
|
April 21, 2026
|
|
Lammps xrd get worse with smaller c parameters?
|
|
7
|
598
|
April 20, 2026
|
|
Clarification on dynamical_matrix output units for regular and eskm with units metal
|
|
2
|
44
|
April 16, 2026
|
|
Modeling interlayer LJ interactions with full periodic boundary conditions for single CG sheet
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|
2
|
45
|
April 16, 2026
|
|
Shear stress calculation
|
|
17
|
2767
|
April 15, 2026
|
|
GCMC with rigid TIP4P
|
|
1
|
57
|
April 14, 2026
|
|
Doubt LAMMPS NEB calculation
|
|
1
|
33
|
April 13, 2026
|