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Ovito Cluster Analysis
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0
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177
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February 20, 2024
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How to use vector variables
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7
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179
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February 20, 2024
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SO4 ion and the O atoms distance
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3
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88
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February 20, 2024
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Seeking Help: Restarting Molecular Dynamics Simulations in ASE
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0
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203
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February 19, 2024
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Example script of using ase neb with vasp in parallel
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2
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247
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February 19, 2024
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How to Plot DOS using pymatgen and python?
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0
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103
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February 19, 2024
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Simulation is getting killed due to huge memory demand on using wall/srd with a mixture of srd and colloidal particles
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8
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93
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February 19, 2024
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Formation energy from energy_per_atom
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3
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158
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February 18, 2024
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Getting different catalyst structures & atomic positions from website and api (cif, poscar, everything)
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8
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106
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May 1, 2024
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Writing a plugin for LAMMPS
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5
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114
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February 16, 2024
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How to use gaff(amber based forcefield) & OPLSAA forcefield together?
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2
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154
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February 16, 2024
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NEB in ASE with parallel images
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0
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113
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February 15, 2024
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Create model
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6
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135
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February 13, 2024
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Membrane deformation
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0
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79
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February 10, 2024
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How to capture last frame before system crush
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4
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126
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February 9, 2024
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Silicon Dioxide Ammonium Adsorption
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1
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106
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February 9, 2024
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How to unify tag[i] and ilist[i] when only using single processor?
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3
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82
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February 7, 2024
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Properly calculate average box volume
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8
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267
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February 7, 2024
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Import PDB of Polymer, Error "does not occur in chemistries"
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1
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98
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February 7, 2024
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Rerun using GCMC trajectory
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6
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164
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February 4, 2024
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How to out put the average x ,y ,z positions of atoms and the related id's?
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6
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145
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February 2, 2024
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Is there undo button in ase gui?
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0
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91
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February 2, 2024
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Local queryable entire database for arbitrary convex hulls
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4
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197
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February 1, 2024
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Propel polymer bead along bond vector
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4
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170
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January 31, 2024
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How to confirm the N atomic numbers (= mapping of QUIP elements to atom types) in pair_style quip command
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2
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110
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January 30, 2024
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Adapting bond length sinusoidally of a dimer
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0
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76
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January 28, 2024
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CHARMM fluctuating charge model in LAMMPS
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2
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134
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January 24, 2024
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Lammps with Kokkos using SYCL for Intel PVC GPU
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55
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665
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January 24, 2024
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How to update LAMMPS to the latest version?
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1
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163
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January 24, 2024
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N rigid bodies from external file
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2
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114
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January 24, 2024
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