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error in conversion of cube to xsf file
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1
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19
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May 12, 2026
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Kokkos cudaErrorIllegalAddress and DualView crash with fix wall/gran/kk
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0
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22
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May 11, 2026
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Ensemble or single seed for gold nanorod growth study
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2
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30
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May 5, 2026
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How can I get the imaginary part of the frequency-dependent dielectric tensor?
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1
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18
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May 4, 2026
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"strategies to relax local energy spikes during dynamic topology changes"
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3
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48
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May 1, 2026
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Very high pressure in NVT Polycrystal system simulation
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1
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30
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April 28, 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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40
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April 22, 2026
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Performance optimization for pair_style mliap via Kokkos on H100 GPU (625 atoms)
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3
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32
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April 22, 2026
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Hybrid eam + lj potential
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2
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46
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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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586
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April 20, 2026
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Kspace GPU acceleration possible?
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1
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39
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April 17, 2026
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Simulation of solutions of paramagnetic ions
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14
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161
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April 3, 2026
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Downloading Site-Specific XAS Spectra (FEFF) with Structures and Full Properties
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10
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77
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March 26, 2026
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Access eatom on device
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8
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84
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March 18, 2026
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How to upload custom kinetic Monte Carlo simulation data to NOMAD (no built-in parser)?
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2
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91
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March 9, 2026
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SWM4-NDP water model files for LAMMPS/Drude MD (.ff/.zmat/.xyz format)
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4
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68
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March 9, 2026
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Abnormal Force Drop Between Two run Commands in Self-Compiled LAMMPS 20240829 – Suspected Compilation Issue
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8
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71
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March 3, 2026
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Simulation freezes during water insertion GCMC-MD simulation
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9
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142
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March 2, 2026
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Neb lammps visualization
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7
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84
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February 26, 2026
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Installation of lammps
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6
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112
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February 25, 2026
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Kn and Kt (and damping) calculations for pair_style gran/hooke/history
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0
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28
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February 25, 2026
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Atom selection around specific atoms
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2
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54
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February 24, 2026
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Writing output files in the run directory?
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0
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19
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February 24, 2026
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Suggestions for LAMMPS Visualization Howto
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13
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248
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February 6, 2026
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Using `func` in place of `energy` in `sqs2tdb` 3.50
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0
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25
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February 2, 2026
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Error Lammps: MPI_ABORT was invoked on rank 0 in communicator MPI_COMM_WORLD with errorcode 1.
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4
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61
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January 29, 2026
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How to define user force fields with EMC
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8
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183
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January 28, 2026
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All pair coeffs are not set.
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1
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72
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January 28, 2026
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Guidelines and suggestions for the eOn subforum
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2
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25
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April 28, 2026
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About boundary conditions
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2
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72
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January 21, 2026
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