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per-atom potential
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2
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83
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May 19, 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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63
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May 14, 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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105
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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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58
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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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54
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May 4, 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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58
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May 2, 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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70
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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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63
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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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Very high pressure in NVT Polycrystal system simulation
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1
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49
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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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63
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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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56
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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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50
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April 24, 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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63
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April 22, 2026
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Hybrid eam + lj potential
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2
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64
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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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83
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April 21, 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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83
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April 18, 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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188
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April 16, 2026
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Question about FixNH
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2
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54
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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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53
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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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66
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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
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50
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April 16, 2026
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Shear stress calculation
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17
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2815
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April 15, 2026
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Problems Encountered in Constant Load Tensile Simulation of Models Using the addforce Command When stretching the model using addforce, the calculated stress and strain values show significant abnormalities
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1
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33
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April 12, 2026
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Doubt regarding LAMMPS
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4
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86
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April 9, 2026
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Segmentation fault (11) Invalid permissions (2) Using multi GPUs with LAMMPS+MLIAP/MACE
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7
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155
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April 9, 2026
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Possible to use fix pimd/langevin and fix nvt with deep potential
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7
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86
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April 8, 2026
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Using pair eam/alloy in adapt or adapt/fep
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4
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40
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April 2, 2026
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Any issues with adding a "first" option to fix print?
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5
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99
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March 30, 2026
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Applying compute temp/partial to rigid bodies: Does fix langevin + fix_modify work?
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7
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98
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March 28, 2026
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