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Neb lammps visualization
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7
|
100
|
February 26, 2026
|
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Issues with ASE-GUI with MacOS in dark mode
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5
|
119
|
October 20, 2024
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Different surface structures from pymatgen and ASE
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0
|
187
|
October 13, 2024
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Generating core/shell structure with different compositions
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0
|
182
|
April 17, 2024
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Hybridization and DOSFeaturizer of Matminer for an ASE database (C2DB)
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0
|
225
|
March 15, 2024
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How to apply periodic boundary conditions in molecular dynamics
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2
|
969
|
February 7, 2024
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ModuleNotFoundError: No module named ‘ase.mep’
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5
|
739
|
January 29, 2024
|
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Loading XRD file with .str format
|
|
0
|
285
|
October 31, 2023
|
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How to write multiple Atoms objects to a traj format file?
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2
|
1007
|
September 16, 2023
|
|
Calculation of vibration frequencies and modes
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5
|
964
|
September 6, 2023
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ASE file formats that support MAGMOM values for atoms
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1
|
358
|
July 24, 2023
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Errors in ase test
|
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4
|
783
|
July 20, 2023
|
|
Discussion: Workflow and data provenance for atomistic simulations
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5
|
914
|
October 25, 2022
|
|
BFGS optimization with LAMMPS using multiprocessors
|
|
1
|
671
|
January 13, 2023
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ASE: how to check binding among atoms
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|
1
|
425
|
January 13, 2023
|
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ASE convesion of Trajectory file to XDATCAR
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|
1
|
1729
|
January 4, 2023
|
|
Lost atom with LAMMPS calculator
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4
|
813
|
January 4, 2023
|
|
Featurize the formula to molecular weight？
|
|
0
|
312
|
December 29, 2022
|
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Restarting NEB calculations from last positions
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|
0
|
419
|
December 13, 2022
|
|
Implemeting SciPY from pymatgen output
|
|
2
|
684
|
November 3, 2022
|
|
ModuleNotFoundError: No module named 'ase.build'; 'ase' is not a package
|
|
2
|
1774
|
October 17, 2022
|
|
Having issue to run ASE's LAMMPSlib on a cluster (CentOS)
|
|
7
|
730
|
May 13, 2022
|
|
Errors in ASE
|
|
0
|
528
|
April 27, 2022
|
|
Width in DOS
|
|
1
|
508
|
April 11, 2022
|
|
GPAW atoms limit
|
|
1
|
436
|
February 21, 2022
|
|
What is the velocity unit for atoms object?
|
|
2
|
1795
|
January 11, 2022
|
|
What is the principle of generating INCAR tags in ASE?
|
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0
|
365
|
January 5, 2022
|
|
OpenKim Model Drivers to utilize Neural Network Potentials in ASE
|
|
7
|
763
|
November 23, 2021
|
|
How to run .traj file inside python?
|
|
2
|
484
|
September 24, 2021
|
|
How to set pomass for different elements in calc.set()?
|
|
1
|
696
|
September 16, 2021
|