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Generating images flags from dump file for rerun
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2
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22
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November 15, 2025
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Asynchronous update of the peratom attributes
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4
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35
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November 13, 2025
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A huge difference of MgB2 bulk parameters
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9
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64
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November 10, 2025
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Desktop workstation with GPU acceleration
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7
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94
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November 7, 2025
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Using CVFF forcefield with Enhanced Monte Carlo
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0
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22
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November 6, 2025
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Request for Public Spectral and Optical Property Data of Photonic Materials for ML-Based Modeling
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2
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18
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November 5, 2025
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Applying Constant Shear Stress to Dislocation Using Lammps
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10
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1310
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November 5, 2025
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Calculation of spatial correlation function
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1
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36
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November 4, 2025
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Doubt with phonon dispersion
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6
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34
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October 30, 2025
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How can I design the solid-liquid interfacial reaction more realistically?
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5
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72
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October 27, 2025
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Calculation of pulling energy (spring) in lammps
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23
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1088
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October 22, 2025
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Constructing final structure from FCP
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4
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34
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October 18, 2025
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Molecular center-of-mass drift in TIP5P supercooled water simulations
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2
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44
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October 16, 2025
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Calculating the dielectic permittivity spectrum
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4
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34
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October 12, 2025
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output structure during MC
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0
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19
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October 11, 2025
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Relaxation satisfying both energy and force tolerance
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3
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40
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October 10, 2025
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Relaxation of atoms in fixed lattice
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5
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36
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October 9, 2025
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How to fetch H adsorption data?
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1
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20
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October 6, 2025
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Running LAMMPS with DeepMD potential takes too much RAM
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1
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30
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October 6, 2025
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How to use correctly the pair style "hybrid/scaled" with lookup tabel?
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1
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31
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October 5, 2025
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applying biaxial strain in cubic system
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1
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18
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October 3, 2025
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Seebeck, electrical conductivity, power factor ...
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0
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26
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September 30, 2025
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Provenance of Web structure
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16
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62
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September 29, 2025
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Unable to get Lammps to include MOLFILE package in installation
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9
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44
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September 29, 2025
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Question regarding RMSD calculation with structural alignment in OVITO
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1
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51
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September 26, 2025
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How much computer CPU usage will be required for say a 60 atom model to run. So we want CPU requirements versus the number of atoms for VASP
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4
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980
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September 22, 2025
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Missing opls-aa parameters
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3
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75
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September 20, 2025
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VASP NEB calculations
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6
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426
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September 18, 2025
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Phase diagrams with compounds
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11
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312
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September 8, 2025
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Is there any way to download experimentally validated material properties?
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1
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25
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September 8, 2025
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