|
Typo of Inhomogenous_NPTBerendsen
|
|
0
|
3
|
March 13, 2025
|
|
ASE read/write lammps-data
|
|
0
|
9
|
March 11, 2025
|
|
Parallelise MACE calculator
|
|
5
|
499
|
February 26, 2025
|
|
Minima Hopping with Vasp, error in MD initiation
|
|
1
|
20
|
February 19, 2025
|
|
Quantum Espresso command line in updated versions of ASE.
|
|
0
|
32
|
January 10, 2025
|
|
Imaginary rotational and translational modes
|
|
1
|
11
|
January 2, 2025
|
|
Read extxyz in ase v. 3.23.0
|
|
5
|
220
|
December 18, 2024
|
|
Using Phonons.run after single-point calculation in Quantum Espresso - PropertyNotImplemented Error
|
|
3
|
72
|
December 11, 2024
|
|
ASE+ALAMODE for structure optimization
|
|
2
|
19
|
December 9, 2024
|
|
`AssertionError` in `LAMMPSlib` with ASE during Potential Energy Calculation
|
|
0
|
21
|
December 6, 2024
|
|
Error using the lammpsrun calculator in the Python ASE module
|
|
6
|
58
|
December 5, 2024
|
|
ASE fails to construct neighbourlist
|
|
0
|
6
|
November 29, 2024
|
|
ASE phonon calculations
|
|
1
|
81
|
November 16, 2024
|
|
Read atomic positions from QE MD output
|
|
0
|
28
|
November 15, 2024
|
|
How to write a standard MACE-type XYZ file by ASE
|
|
1
|
38
|
November 7, 2024
|
|
Dealing with .xtc files in ASE
|
|
1
|
29
|
November 4, 2024
|
|
Value of `delta` in the Vibrations class
|
|
1
|
17
|
November 4, 2024
|
|
Ase.contrain gives error indices has wrong amount of dimensions
|
|
0
|
22
|
October 27, 2024
|
|
Issues with ASE-GUI with MacOS in dark mode
|
|
5
|
59
|
October 20, 2024
|
|
How to apply strains to entire cell?
|
|
0
|
29
|
October 9, 2024
|
|
NPT dyn for NVT Nose-hoover thermostat fixed volume
|
|
0
|
61
|
October 9, 2024
|
|
Ase test : ERROR collecting test_imports.py
|
|
0
|
34
|
October 3, 2024
|
|
Fixing the Center of Mass for CSVR thermostat
|
|
0
|
18
|
October 2, 2024
|
|
GPAW issue in ASE
|
|
1
|
22
|
September 25, 2024
|
|
OpenMPI problem with ase test
|
|
2
|
18
|
September 21, 2024
|
|
Changing axes colors of default ASE viewer
|
|
4
|
41
|
September 21, 2024
|
|
Regarding POSCAR visualization
|
|
1
|
23
|
September 18, 2024
|
|
Pseudohydrogen problem in new 3.23 version (ASE/Siesta)
|
|
0
|
17
|
September 18, 2024
|
|
How to increase bond length for Analysis.get_bonds
|
|
15
|
147
|
September 9, 2024
|
|
Add forces to Atoms/Database object
|
|
3
|
83
|
August 31, 2024
|