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Seeking Help: Restarting Molecular Dynamics Simulations in ASE
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0
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538
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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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485
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February 19, 2024
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ValueError: One or more NEB images share the same calculator. DFTB calculator
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2
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796
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February 15, 2024
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NEB in ASE with parallel images
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0
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318
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February 15, 2024
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No output of my first ase script
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1
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265
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February 10, 2024
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How to apply periodic boundary conditions in molecular dynamics
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2
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670
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February 7, 2024
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Is there undo button in ase gui?
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0
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184
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February 2, 2024
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ModuleNotFoundError: No module named ‘ase.mep’
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5
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683
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January 29, 2024
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How to make it faster to convert format with ASE?
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2
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236
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January 11, 2024
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How to model molecule surface interaction in ASE
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0
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235
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December 29, 2023
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POVRAY Visualisation Help
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6
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1197
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December 12, 2023
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Why VASP calculation on ASE created slab cannot start?
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1
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607
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December 7, 2023
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Equation of State Fitting with ASE - How to get errors in fitted variables?
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0
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206
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December 5, 2023
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Need a help in how to create nanocomposite with material studio DFT
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0
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145
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December 2, 2023
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How to construct a Ba8Ga16Ge30 structure using ASE
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0
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168
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November 5, 2023
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How to construct a Ba8Ga16Ge30 structure using ASE
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0
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222
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November 5, 2023
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What is happening during parallelization?
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0
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480
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October 30, 2023
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How to make JSON serializable to finalize ase-neb calculations using siesta calculator?
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0
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450
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December 18, 2021
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Error while trying optimizing with SumCalculator function freeing the cell with ExpCellFilter
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3
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459
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September 23, 2023
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Are there any plans for a new stable release?
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2
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253
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September 22, 2023
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How to pass bsse_type into psi4 optimization?
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0
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244
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September 20, 2023
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How to write multiple Atoms objects to a traj format file?
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2
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806
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September 16, 2023
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Calculation of vibration frequencies and modes
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5
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759
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September 6, 2023
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Why “ase.io.read()” can't read the lammps data
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1
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375
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August 31, 2023
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Fmax, DM, calculations time
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2
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450
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August 24, 2023
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How does NPT class in ASE cource code apply constrain?
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0
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262
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August 16, 2023
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ASE: Implementing VASP's parser for Machine Learning Force Field Calculations
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2
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1064
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August 11, 2023
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How to display trajectory and other binary files outside ASE envionment?
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2
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602
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July 25, 2023
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ASE file formats that support MAGMOM values for atoms
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1
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320
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July 24, 2023
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Errors in ase test
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4
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753
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July 20, 2023
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