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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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100
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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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134
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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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186
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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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287
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October 30, 2023
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Variable cell for NEB
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0
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222
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October 27, 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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403
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December 18, 2021
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Overwriting ASE Calculator Results and Saving Results to a Trajectory File
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2
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290
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September 25, 2023
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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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337
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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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195
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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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174
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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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360
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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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441
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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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256
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August 31, 2023
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Fmax, DM, calculations time
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2
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323
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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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185
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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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871
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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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354
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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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240
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July 24, 2023
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Errors in ase test
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4
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619
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July 20, 2023
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Rigid Body Energy Minimization
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0
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184
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July 14, 2023
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Visualization error in .traj file obtained by structural optimization using constraints
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0
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147
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July 14, 2023
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Basic MD in ASE
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1
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287
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July 12, 2023
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NPT molecular dynamics in ASE
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1
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610
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July 12, 2023
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Eigenvectors from ase.vibrations.Vibrations
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2
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253
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July 5, 2023
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Environment variable problem with ASE VASP calculator
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2
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399
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June 30, 2023
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Failure during running test
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0
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165
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June 29, 2023
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Phonon pdos
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2
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227
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June 16, 2023
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How to get custom properties from read_lammps_dump_text
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4
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303
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June 12, 2023
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Thin out trajectry file
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4
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208
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May 31, 2023
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Setting a different PAW dataset (ASE/GPAW)
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1
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188
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May 17, 2023
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