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Quantum Espresso command line in updated versions of ASE.
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0
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6
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January 10, 2025
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Imaginary rotational and translational modes
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1
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4
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January 2, 2025
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Read extxyz in ase v. 3.23.0
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5
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106
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December 18, 2024
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Using Phonons.run after single-point calculation in Quantum Espresso - PropertyNotImplemented Error
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3
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45
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December 11, 2024
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ASE+ALAMODE for structure optimization
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2
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17
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December 9, 2024
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`AssertionError` in `LAMMPSlib` with ASE during Potential Energy Calculation
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0
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13
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December 6, 2024
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Error using the lammpsrun calculator in the Python ASE module
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6
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21
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December 5, 2024
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ASE fails to construct neighbourlist
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0
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6
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November 29, 2024
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ASE phonon calculations
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1
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41
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November 16, 2024
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Read atomic positions from QE MD output
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0
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18
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November 15, 2024
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How to write a standard MACE-type XYZ file by ASE
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1
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28
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November 7, 2024
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Dealing with .xtc files in ASE
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1
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18
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November 4, 2024
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Value of `delta` in the Vibrations class
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1
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14
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November 4, 2024
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Ase.contrain gives error indices has wrong amount of dimensions
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0
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20
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October 27, 2024
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Issues with ASE-GUI with MacOS in dark mode
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5
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45
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October 20, 2024
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How to apply strains to entire cell?
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0
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17
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October 9, 2024
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NPT dyn for NVT Nose-hoover thermostat fixed volume
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0
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31
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October 9, 2024
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Ase test : ERROR collecting test_imports.py
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0
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29
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October 3, 2024
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Fixing the Center of Mass for CSVR thermostat
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0
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12
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October 2, 2024
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GPAW issue in ASE
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1
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15
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September 25, 2024
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OpenMPI problem with ase test
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2
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15
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September 21, 2024
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Changing axes colors of default ASE viewer
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4
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31
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September 21, 2024
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Regarding POSCAR visualization
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1
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20
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September 18, 2024
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Pseudohydrogen problem in new 3.23 version (ASE/Siesta)
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0
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13
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September 18, 2024
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How to increase bond length for Analysis.get_bonds
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15
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118
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September 9, 2024
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Add forces to Atoms/Database object
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3
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61
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August 31, 2024
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Layer creation problem in ASE
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3
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34
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August 28, 2024
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Problems Running ORCA Through ASE
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1
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56
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August 28, 2024
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Coordinates Systems Used in Geometry Optimizations
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3
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64
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August 20, 2024
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Pip-installed ase gui emulates frozen subwindows under WSL & Ubuntu 22.04
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2
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77
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July 22, 2024
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