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Generating core/shell structure with different compositions
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0
|
139
|
April 17, 2024
|
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Hybridization and DOSFeaturizer of Matminer for an ASE database (C2DB)
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0
|
153
|
March 15, 2024
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How to apply periodic boundary conditions in molecular dynamics
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2
|
420
|
February 7, 2024
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ModuleNotFoundError: No module named ‘ase.mep’
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5
|
601
|
January 29, 2024
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Loading XRD file with .str format
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0
|
236
|
October 31, 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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528
|
September 16, 2023
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Calculation of vibration frequencies and modes
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5
|
570
|
September 6, 2023
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ASE file formats that support MAGMOM values for atoms
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1
|
300
|
July 24, 2023
|
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Errors in ase test
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4
|
716
|
July 20, 2023
|
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Discussion: Workflow and data provenance for atomistic simulations
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5
|
802
|
October 25, 2022
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BFGS optimization with LAMMPS using multiprocessors
|
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1
|
541
|
January 13, 2023
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|
ASE: how to check binding among atoms
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1
|
410
|
January 13, 2023
|
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ASE convesion of Trajectory file to XDATCAR
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1
|
1508
|
January 4, 2023
|
|
Lost atom with LAMMPS calculator
|
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4
|
723
|
January 4, 2023
|
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Featurize the formula to molecular weight？
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0
|
289
|
December 29, 2022
|
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Restarting NEB calculations from last positions
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0
|
367
|
December 13, 2022
|
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Implemeting SciPY from pymatgen output
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2
|
651
|
November 3, 2022
|
|
ModuleNotFoundError: No module named 'ase.build'; 'ase' is not a package
|
|
2
|
1486
|
October 17, 2022
|
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Having issue to run ASE's LAMMPSlib on a cluster (CentOS)
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|
7
|
565
|
May 13, 2022
|
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Errors in ASE
|
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0
|
498
|
April 27, 2022
|
|
Width in DOS
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1
|
471
|
April 11, 2022
|
|
GPAW atoms limit
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1
|
407
|
February 21, 2022
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What is the velocity unit for atoms object?
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2
|
1408
|
January 11, 2022
|
|
What is the principle of generating INCAR tags in ASE?
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0
|
345
|
January 5, 2022
|
|
OpenKim Model Drivers to utilize Neural Network Potentials in ASE
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7
|
724
|
November 23, 2021
|
|
How to run .traj file inside python?
|
|
2
|
454
|
September 24, 2021
|
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How to set pomass for different elements in calc.set()?
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1
|
640
|
September 16, 2021
|
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The meaning of force call in BFGSLinearsearch method
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2
|
534
|
September 16, 2021
|
|
Python Package and guide on integrating Fireworks, ASE and VASP. What does your cloud architecture look like?
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3
|
884
|
August 22, 2021
|
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Cell size on adsorption calculations
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2
|
604
|
August 7, 2021
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