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Lammps xrd get worse with smaller c parameters?
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|
7
|
602
|
April 20, 2026
|
|
Clarification on dynamical_matrix output units for regular and eskm with units metal
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2
|
53
|
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
|
50
|
April 16, 2026
|
|
Shear stress calculation
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17
|
2815
|
April 15, 2026
|
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GCMC with rigid TIP4P
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1
|
64
|
April 14, 2026
|
|
Doubt LAMMPS NEB calculation
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1
|
39
|
April 13, 2026
|
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COMB3 (Ti–N) data file charge assignment + simulation instability
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0
|
29
|
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
|
113
|
April 10, 2026
|
|
Doubt regarding LAMMPS
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|
4
|
86
|
April 9, 2026
|
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Using pair eam/alloy in adapt or adapt/fep
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4
|
40
|
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
|
98
|
March 28, 2026
|
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Fix bond/break breaks bonds and reports breakage incorrectly?
|
|
11
|
153
|
March 27, 2026
|
|
Stone–Wales Defect in Two-Dimensional Heterostructure: Problem in Equilibration
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|
2
|
52
|
March 24, 2026
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|
Bond angle calculation & bond evolution during deformation using lammps
|
|
2
|
69
|
March 24, 2026
|
|
How to visualize region‐based walls (wall/gran) in LAMMPS?
|
|
6
|
252
|
March 23, 2026
|
|
NEMD temperature spiking to 1000K at grain boundary
|
|
8
|
134
|
March 22, 2026
|
|
Energy drift in NVE stage of spin-lattice dynamics
|
|
2
|
79
|
March 18, 2026
|
|
Awkward behavior of two overlapped particle with pure negative gaussian attraction at the center (barrier exists)
|
|
10
|
95
|
March 17, 2026
|
|
Invalid force field file format
|
|
4
|
946
|
March 13, 2026
|
|
Thermo every variable returned a bad timestep
|
|
4
|
79
|
March 11, 2026
|
|
SWM4-NDP water model files for LAMMPS/Drude MD (.ff/.zmat/.xyz format)
|
|
4
|
115
|
March 9, 2026
|
|
Request for COMB3 Al–O Potential File (Choudhary et al., 2015
|
|
3
|
85
|
March 7, 2026
|
|
Abnormal Force Drop Between Two run Commands in Self-Compiled LAMMPS 20240829 – Suspected Compilation Issue
|
|
8
|
97
|
March 3, 2026
|
|
Neb lammps visualization
|
|
7
|
118
|
February 26, 2026
|
|
Help with fix bond/react
|
|
8
|
110
|
February 25, 2026
|
|
Sawtooth pattern when using run M every N after NPT command
|
|
1
|
38
|
February 25, 2026
|
|
Kn and Kt (and damping) calculations for pair_style gran/hooke/history
|
|
0
|
32
|
February 25, 2026
|
|
Acceleration for ELECTRODE package
|
|
5
|
111
|
February 13, 2026
|
|
Computing Hydrogen Bonds in LAMMPS
|
|
8
|
191
|
February 12, 2026
|
|
Working mechanism of Langevin and deformation syntax
|
|
1
|
58
|
February 11, 2026
|