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Neb lammps visualization
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7
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46
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February 26, 2026
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Issues with ASE-GUI with MacOS in dark mode
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5
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105
|
October 20, 2024
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Different surface structures from pymatgen and ASE
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0
|
167
|
October 13, 2024
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Generating core/shell structure with different compositions
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0
|
176
|
April 17, 2024
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Hybridization and DOSFeaturizer of Matminer for an ASE database (C2DB)
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0
|
221
|
March 15, 2024
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How to apply periodic boundary conditions in molecular dynamics
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2
|
919
|
February 7, 2024
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ModuleNotFoundError: No module named ‘ase.mep’
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5
|
722
|
January 29, 2024
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Loading XRD file with .str format
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0
|
278
|
October 31, 2023
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How to write multiple Atoms objects to a traj format file?
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2
|
981
|
September 16, 2023
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Calculation of vibration frequencies and modes
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5
|
920
|
September 6, 2023
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ASE file formats that support MAGMOM values for atoms
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1
|
351
|
July 24, 2023
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Errors in ase test
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4
|
772
|
July 20, 2023
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Discussion: Workflow and data provenance for atomistic simulations
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5
|
894
|
October 25, 2022
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BFGS optimization with LAMMPS using multiprocessors
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1
|
662
|
January 13, 2023
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ASE: how to check binding among atoms
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1
|
419
|
January 13, 2023
|
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ASE convesion of Trajectory file to XDATCAR
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1
|
1716
|
January 4, 2023
|
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Lost atom with LAMMPS calculator
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4
|
797
|
January 4, 2023
|
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Featurize the formula to molecular weight？
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0
|
310
|
December 29, 2022
|
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Restarting NEB calculations from last positions
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0
|
414
|
December 13, 2022
|
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Implemeting SciPY from pymatgen output
|
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2
|
678
|
November 3, 2022
|
|
ModuleNotFoundError: No module named 'ase.build'; 'ase' is not a package
|
|
2
|
1753
|
October 17, 2022
|
|
Having issue to run ASE's LAMMPSlib on a cluster (CentOS)
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|
7
|
711
|
May 13, 2022
|
|
Errors in ASE
|
|
0
|
523
|
April 27, 2022
|
|
Width in DOS
|
|
1
|
500
|
April 11, 2022
|
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GPAW atoms limit
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|
1
|
426
|
February 21, 2022
|
|
What is the velocity unit for atoms object?
|
|
2
|
1756
|
January 11, 2022
|
|
What is the principle of generating INCAR tags in ASE?
|
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0
|
357
|
January 5, 2022
|
|
OpenKim Model Drivers to utilize Neural Network Potentials in ASE
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|
7
|
754
|
November 23, 2021
|
|
How to run .traj file inside python?
|
|
2
|
477
|
September 24, 2021
|
|
How to set pomass for different elements in calc.set()?
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|
1
|
688
|
September 16, 2021
|