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How to determine whether unreasonable force field or structure leads to bond atoms missing
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2
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75
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May 5, 2024
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Discrepancies in Energy Calculation Using 'mix arithmetic' in LAMMPS Simulation
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2
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63
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May 4, 2024
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Lammps parallel computing: Speed Up problem when exceeding 16 Cores (32 Threads)
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11
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126
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May 4, 2024
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Updating potential in pair_style harmonic/cut and linesearch alpha is zero during minimisation
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0
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39
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May 4, 2024
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Airebo with meam & lj/cut in hybrid pair style
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8
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83
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May 3, 2024
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Using insight2lammps for PCFF
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2
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52
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May 3, 2024
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Error with streitz and eam/alloy potential in hybrid style
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7
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85
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May 3, 2024
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Voronoi liquid (Voronoi-derived force) in LAMMPS
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1
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46
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May 3, 2024
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Making bulk semicrystalline structure
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4
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350
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May 3, 2024
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Terminating cluster error
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3
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173
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May 3, 2024
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Water-box is not passing completely from membrane
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0
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37
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May 3, 2024
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TbFe2-Cubic
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0
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32
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May 3, 2024
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In reading trajectory file from LAMMPS dump file
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2
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43
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May 2, 2024
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NEB calculation on grain boundaries in gulp
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0
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26
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May 3, 2024
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Phase diagrams with compounds
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8
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128
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May 2, 2024
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Electrodes splitting while doing NPT simulation
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4
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95
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May 2, 2024
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Troubles to see the plugin content in the 'NOMAD Oasis with plugins' tutorial
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1
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35
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May 2, 2024
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My NOMAD upload is stuck - it is processing data for 4 days already
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56
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496
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May 2, 2024
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Electrode electrolyte simulation
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0
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41
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May 2, 2024
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Error in Data Retrieval
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1
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45
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May 1, 2024
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Structure breaks down in the simulation with LAMMPS
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4
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92
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May 1, 2024
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Creating a potential profile from trajectory generated with ELECTRODE package
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5
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105
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May 1, 2024
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How to fix the error restrain atoms missing
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3
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39
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May 1, 2024
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Bond atom missing in image check (src/domain.cpp:799) and Bond atoms 5903 5904 missing on proc 0 at step 169250 (src/ntopo_bond_all.cpp:61)
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1
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44
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May 1, 2024
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Hybrid potential file for high entropy superalloy
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1
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39
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May 1, 2024
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MPI error
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9
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110
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May 1, 2024
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About fix nvt
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2
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61
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May 1, 2024
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Error regarding denser kpoint mesh
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2
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297
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November 3, 2022
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Kokkos on GPU seems not compatible with atom_style full
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7
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84
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April 30, 2024
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Green-Kubo Simple Generic OpenSource Code/Software?
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3
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267
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April 30, 2024
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