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Rigid Body Energy Minimization
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0
|
240
|
July 14, 2023
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Visualization error in .traj file obtained by structural optimization using constraints
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0
|
181
|
July 14, 2023
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Basic MD in ASE
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1
|
430
|
July 12, 2023
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NPT molecular dynamics in ASE
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1
|
1026
|
July 12, 2023
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Eigenvectors from ase.vibrations.Vibrations
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2
|
329
|
July 5, 2023
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Environment variable problem with ASE VASP calculator
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2
|
684
|
June 30, 2023
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Failure during running test
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0
|
196
|
June 29, 2023
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Phonon pdos
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2
|
294
|
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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463
|
June 12, 2023
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Thin out trajectry file
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4
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279
|
May 31, 2023
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Setting a different PAW dataset (ASE/GPAW)
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1
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212
|
May 17, 2023
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Loading VASP state from .json file - vasp.out output
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2
|
413
|
May 15, 2023
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Raman spectroscopy
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0
|
292
|
May 11, 2023
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Putting atoms object in standard form
|
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4
|
547
|
May 9, 2023
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Running a MD step using ASE, when passing forces in directly using extended xyz format
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1
|
686
|
May 8, 2023
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ssNEB in ASE?
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1
|
390
|
May 8, 2023
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Error in dftpy
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1
|
311
|
May 8, 2023
|
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Virial output
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1
|
258
|
May 8, 2023
|
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How to parallelize vibration calculation?
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2
|
433
|
May 5, 2023
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|
Cif to structure
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1
|
671
|
April 27, 2023
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OSError: Can't read data (inflate() failed)
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0
|
535
|
January 24, 2023
|
|
BFGS optimization with LAMMPS using multiprocessors
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|
1
|
628
|
January 13, 2023
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|
Cell shape during relaxation
|
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1
|
524
|
January 13, 2023
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ASE: how to check binding among atoms
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1
|
417
|
January 13, 2023
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ASE convesion of Trajectory file to XDATCAR
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|
1
|
1656
|
January 4, 2023
|
|
Lost atom with LAMMPS calculator
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|
4
|
772
|
January 4, 2023
|
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Generating an image of atoms with charges from ase gui?
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2
|
357
|
December 30, 2022
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Restarting NEB calculations from last positions
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0
|
392
|
December 13, 2022
|
|
Measuring distance with ASE
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|
1
|
1107
|
December 4, 2022
|
|
Creating Atoms object from the formula
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|
2
|
325
|
November 17, 2022
|