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How to write a standard MACE-type XYZ file by ASE
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1
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24
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November 7, 2024
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Difference between Materials project New and Legacy
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11
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84
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November 4, 2024
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Model coarse grained copolymer
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3
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47
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November 2, 2024
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Running efficiency decreases as the number of steps increases
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5
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22
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November 1, 2024
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How can I load my output data from output file 4.pair.p into a lammps.tjr file?
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4
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43
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October 31, 2024
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Fix bond/react
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11
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150
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October 31, 2024
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Issue with Stability in Hybrid System (Hydrogen in TIP4P Water) Using NPT/NVT Ensembles
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1
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25
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October 30, 2024
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Thermoset Annealing Simulation (generated w Fix bond/react)
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5
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59
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October 29, 2024
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Surface particles for a single region
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5
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58
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August 7, 2024
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Adding en External force varying with position to all particles
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7
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31
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October 29, 2024
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Issue with TIP4P Water Simulation
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4
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78
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October 29, 2024
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Can jobflow/jobflow-remote run multiple job in a single slurm session?
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3
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18
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October 26, 2024
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MD , thermal transport
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0
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10
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October 25, 2024
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Modifying atom velocities as they recycle from one boundary to another
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9
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43
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October 25, 2024
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Get data from the Catalysis Explorer
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4
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443
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October 24, 2024
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Inquiry about RedoxDoc - data availability and extraction steps
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3
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37
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October 16, 2024
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Basis part of custom lattice command
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1
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26
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October 15, 2024
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Viscosity calculation using Green-kubo method
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6
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76
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October 15, 2024
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Custom lattice larger than the desired size _ periodic boundary conditions
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4
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31
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October 14, 2024
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Can someone please explain me the following Monte Carlo code input file for my simulation? I'm new to this field and need your kind support. Thank You
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0
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9
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October 14, 2024
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Different surface structures from pymatgen and ASE
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0
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38
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October 13, 2024
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Question regarding lammps to create our own potential file
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4
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31
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October 12, 2024
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Pourbaix Diagram -Tempurature Adjustment
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2
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77
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October 11, 2024
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How to compute the per-atom force of group A exerted by group B?
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2
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27
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October 8, 2024
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Discrepancy in CFF parameters between EMC versions
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3
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41
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October 6, 2024
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Deforming with decreasing temperature
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8
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46
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October 6, 2024
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How to use the hybrid pair_style to discribe the system including: quip, meam and lj?
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3
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46
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October 3, 2024
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Periodic boundary condiion
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1
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38
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October 1, 2024
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How to create prism with triangular cross section
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4
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19
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September 30, 2024
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Find the indices of the atoms entering into the reactions
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0
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24
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September 28, 2024
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