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Run benchmark with OpenMP only
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2
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69
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March 20, 2024
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How to implement atat to pymatgen
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1
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408
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March 20, 2024
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Single point calculation without gradients
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4
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80
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March 20, 2024
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How can I convert Vasp OUTCAR file to extxyz with charge & virial for all frames?
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1
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128
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March 20, 2024
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Ghost atom cutoff
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6
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112
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March 20, 2024
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Seeking input for ideas on tutorial workflows using python Scripting in OVITO
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0
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73
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March 19, 2024
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Density for solids in LAMMPS
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1
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72
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March 15, 2024
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Accessing structure documents from materials project
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8
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101
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March 14, 2024
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I have a question about the crystallographic information of Fe2B
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1
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83
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March 14, 2024
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My Peridynamics with LAMMPS(8.5.9) result wrong?
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2
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100
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March 14, 2024
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OpenGL context for viewport window has not been created
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3
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98
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March 13, 2024
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Parsing AiiDA archive content in NOMAD
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1
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75
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March 13, 2024
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Lammps how to compute Coulomb energy of per atom
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2
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95
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March 11, 2024
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How do I create bonds in a FCC lattice
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2
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109
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March 10, 2024
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Repeated steps for a double for loop
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3
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126
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March 9, 2024
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LaTeX text overlays
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3
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113
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February 9, 2024
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Using atom_style hybrid dielectric sphere with pair_style hybrid overlay
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3
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82
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March 8, 2024
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Thermal conductivity of liquid
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11
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173
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March 8, 2024
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Movement of COM in the MD simulation of 3D system consisting mobile and rigid molecules
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19
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228
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March 6, 2024
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How to get Bond valence Vector Sum (BVVS) for each sites of Perovskite material?
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0
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69
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March 5, 2024
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Incorrect argument when using quip in lammps
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4
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85
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March 5, 2024
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Randomly interchanging the velocities of a group of particles
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0
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59
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March 5, 2024
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Specific capacitance calculation
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0
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91
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March 2, 2024
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High fluctuations in the thermodynamic properties of mixtures
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2
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277
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September 13, 2023
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API - Filter structures by elements
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2
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102
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February 28, 2024
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Is it possible to output the time passed instead of the number of timesteps passed in the output file for fix ave/chunk?
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1
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73
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February 23, 2024
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Dipole moment calculation problems
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2
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144
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February 23, 2024
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Calculating d33 coefficient from Piezoelectric Tensor (eᵢⱼ) and Compliance Tensor (Sᵢⱼ)
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0
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119
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December 5, 2023
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Tips/Tricks for including Transition States in ICET?
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1
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98
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February 22, 2024
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Annotations in ternary, 2D PDPlotter
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0
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70
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February 21, 2024
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