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Tersoff potential for amorphous SiCN and whether residual pressure after NVT melt-quench should be used as a validation criterion
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0
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34
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May 2, 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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41
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May 2, 2026
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"strategies to relax local energy spikes during dynamic topology changes"
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3
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57
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May 1, 2026
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When I perform NEMD calculations on MOS2, the temperature will fluctuate and a stable temperature gradient cannot be generated. How to solve this problem
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3
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60
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April 30, 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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53
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April 30, 2026
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The tensile simulation of polymer chains
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1
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38
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April 30, 2026
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GCMD Simulation Dilemma at High Pressure (10-30 atm): MAXENERGYTEST Stalls (PPPM/DSF) vs. Severe Jamming (Cutoff)
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2
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56
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April 29, 2026
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Looking for ReaxFF parameter file for SiO2/SiCN + H2O + O/N plasma surface activation
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2
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57
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April 29, 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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40
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April 29, 2026
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One atom leaving the box due to large value of timestep
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1
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35
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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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48
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April 29, 2026
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Very high pressure in NVT Polycrystal system simulation
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1
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39
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April 28, 2026
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Gas adsorption: fix rigid/npt/small + fix nvt
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2
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43
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April 24, 2026
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Why does flow suppress rather than accelerate corrosion in my Fe/liquid LBE MD simulation?
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1
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41
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April 24, 2026
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Read_dump command has no or invalid attribute fields
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2
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40
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April 24, 2026
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Simulation of single electrode with electrolyte
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7
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481
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April 23, 2026
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Manually setting simulation parameters after loading a data file leads to molecules not interacting
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3
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49
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April 22, 2026
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Performance optimization for pair_style mliap via Kokkos on H100 GPU (625 atoms)
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3
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48
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April 22, 2026
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Hybrid eam + lj potential
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2
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51
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April 21, 2026
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ERROR on proc 96: Bond atoms 4437 4440 missing on proc 96 at step 6764478 (src/ntopo_bond_all.cpp:59)
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5
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62
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April 21, 2026
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Surface free energy simulation methodology query
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5
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63
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April 21, 2026
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Lammps xrd get worse with smaller c parameters?
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7
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596
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April 20, 2026
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Wrong temperature and pressure using fix pimd/langeving with Deep potential
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5
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64
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April 18, 2026
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Kspace GPU acceleration possible?
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1
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47
|
April 17, 2026
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New LAMMPS feature release 30Mar2026, stable release 22Jul2025_update4 and LAMMPS-GUI release 1.12.0 posted
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2
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158
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April 16, 2026
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Question about FixNH
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2
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45
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April 16, 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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39
|
April 16, 2026
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Segmentation fault when running LAMMPS with NequIP and KOKKOS (GPU)
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2
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42
|
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
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43
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April 16, 2026
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Shear stress calculation
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17
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2733
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April 15, 2026
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