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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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18
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May 7, 2026
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Selecting a Random atom from a Particular group
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2
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23
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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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28
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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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38
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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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30
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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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38
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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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29
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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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445
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April 23, 2026
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Surface free energy simulation methodology query
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5
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45
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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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585
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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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30
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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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35
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April 16, 2026
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Shear stress calculation
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17
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2713
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April 15, 2026
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GCMC with rigid TIP4P
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1
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50
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April 14, 2026
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Doubt LAMMPS NEB calculation
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1
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22
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April 13, 2026
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COMB3 (Ti–N) data file charge assignment + simulation instability
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0
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20
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April 12, 2026
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Atoms collapse for larger monolayer system despite running perfectly for smaller system with identical input script and initialization
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7
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74
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April 10, 2026
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Doubt regarding LAMMPS
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4
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59
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April 9, 2026
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Using pair eam/alloy in adapt or adapt/fep
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4
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27
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April 2, 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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68
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March 28, 2026
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Fix bond/break breaks bonds and reports breakage incorrectly?
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11
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105
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March 27, 2026
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Stone–Wales Defect in Two-Dimensional Heterostructure: Problem in Equilibration
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2
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34
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March 24, 2026
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Bond angle calculation & bond evolution during deformation using lammps
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2
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51
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March 24, 2026
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How to visualize region‐based walls (wall/gran) in LAMMPS?
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6
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214
|
March 23, 2026
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NEMD temperature spiking to 1000K at grain boundary
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8
|
110
|
March 22, 2026
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Energy drift in NVE stage of spin-lattice dynamics
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2
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54
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March 18, 2026
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Awkward behavior of two overlapped particle with pure negative gaussian attraction at the center (barrier exists)
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10
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64
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March 17, 2026
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Invalid force field file format
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4
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930
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March 13, 2026
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Thermo every variable returned a bad timestep
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4
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57
|
March 11, 2026
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SWM4-NDP water model files for LAMMPS/Drude MD (.ff/.zmat/.xyz format)
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4
|
67
|
March 9, 2026
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