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Simulation of solutions of paramagnetic ions
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1
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6
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February 6, 2026
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Suggestions for LAMMPS Visualization Howto
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13
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163
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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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12
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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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29
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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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107
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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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41
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January 28, 2026
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Guidelines and suggestions for the eOn subforum
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1
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12
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January 28, 2026
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Ensemble or single seed for gold nanorod growth study
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1
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13
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January 22, 2026
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About boundary conditions
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2
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42
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January 21, 2026
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Issue with ASE's ORCA Output Parsing: Missing "CENTER OF MASS" Line Causes Dipole Moment Calculation Error
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0
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14
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January 11, 2026
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Problem regarding fix atom/swap
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7
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69
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January 17, 2026
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A representative ESA oligomer model (e.g., C₁₉H₂₂O₅ or C₅₇H₆₂O₁₅) is commonly used for DFT-based parameterization because it better captures polymer connectivity and local chemical environment than small monomeric model compounds
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1
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32
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January 4, 2026
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Using CVFF forcefield with Enhanced Monte Carlo
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3
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62
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January 3, 2026
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Perovskite phase recreation help
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0
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16
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December 30, 2025
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File structure of the *.frc file
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5
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38
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December 29, 2025
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Shape factor for compounds
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4
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50
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December 19, 2025
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Running perfactly in mpirun -np 40 but giving error while running in 3 node each 40 core
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3
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61
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December 18, 2025
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Particle properties in Ovito
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3
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51
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December 18, 2025
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Ring Polymer tangential Force calculation
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1
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30
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December 17, 2025
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Fix_ttm for laser ablative
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0
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29
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December 17, 2025
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Transverse acoustic modes in S(q,w) and C(q,w)
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6
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73
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December 17, 2025
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Quick Introduction Question
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5
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38
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December 2, 2025
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About lattice mismatch strain
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6
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86
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December 2, 2025
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How to hide the defect mesh and particles when rendering image using ovito python module?
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2
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53
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November 29, 2025
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How to import ParaDiS data file into Ovito Basic?
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2
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51
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November 28, 2025
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Generating images flags from dump file for rerun
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3
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63
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November 24, 2025
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Insert the atom at the coordinate point
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1
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43
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November 20, 2025
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Asynchronous update of the peratom attributes
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4
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47
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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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112
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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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161
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November 7, 2025
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