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per-atom potential
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2
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76
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May 19, 2026
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KOKKOS GPU cudaErrorIllegalAddress with pair_allegro (LAMMPS 11Feb2026 + CUDA 12.4 + PyTorch 2.6)
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10
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81
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May 19, 2026
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New constraint solver
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4
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151
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May 19, 2026
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Need help to fix indentation dump file for DXA analysis
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0
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25
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May 19, 2026
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Raman spectrum calculation in LAMMPS with Deep Potential (DP) for HfO₂/HZO
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2
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65
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May 14, 2026
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Question for net charge being not zero after deleting overlap atoms
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1
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53
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May 14, 2026
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Postdoctoral Opportunity: Multiscale Modeling of Polymers and Polymer Composites
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0
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197
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May 9, 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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45
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May 7, 2026
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Building LAMMPS with Kokkos Package for AMD GPUs with Various Precisions
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7
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77
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May 6, 2026
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BAOAB integrator
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11
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153
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May 6, 2026
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Selecting a Random atom from a Particular group
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2
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44
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May 5, 2026
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Tersof potential
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4
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100
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May 5, 2026
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Why is the group/group Self-Interaction Energy Negative for Same-Charge Graphene Sheets in LAMMPS PPPM?
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1
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50
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May 4, 2026
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Bulk Si and SiC tersoff tensile
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0
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52
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May 2, 2026
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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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37
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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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48
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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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62
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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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61
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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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56
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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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41
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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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61
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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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65
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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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42
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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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43
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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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47
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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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44
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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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42
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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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495
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April 23, 2026
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