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Janet-inspired Python simulation for a toroidal atom.
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2
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35
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October 4, 2026
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For enhancement of .pdb file IO
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0
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44
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August 30, 2026
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`ase.build.bulk` doesn't support `tetragonal`
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3
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79
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August 12, 2026
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ASE-3.29 released
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2
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156
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June 29, 2026
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A bug in write_espresso_in function
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4
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102
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June 28, 2026
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New web page & documentation moved
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0
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38
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June 23, 2026
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Question about unit specification in extxyz format
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5
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126
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June 15, 2026
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Phonon dispersion with Non-analytic corrections
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3
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78
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June 10, 2026
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Raman spectroscopy
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2
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347
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June 10, 2026
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Ensemble or single seed for gold nanorod growth study
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3
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59
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June 10, 2026
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Bug of ase.build.surface?
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5
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133
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May 21, 2026
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error in conversion of cube to xsf file
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1
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51
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May 12, 2026
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Is it not possible to optimize periodic structures in ASE using DFTB+ calculator?
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2
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107
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April 22, 2026
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for parse of molden file
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0
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35
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March 12, 2026
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Issue with ASE's ORCA Output Parsing: Missing "CENTER OF MASS" Line Causes Dipole Moment Calculation Error
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0
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60
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January 11, 2026
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Use of ase convert from the command line
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1
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96
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December 8, 2025
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Units of ASE vib.H (Hessian) and vib.get_mode()
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1
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77
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December 8, 2025
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Doubt with phonon dispersion
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6
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195
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October 30, 2025
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Get dipole moment per unit cell in a supercell
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0
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62
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October 27, 2025
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applying biaxial strain in cubic system
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1
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83
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October 3, 2025
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How should I rattle an ASE Atoms object to improve convergence in DFTB+?
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1
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193
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August 27, 2025
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ASE@psi-k get-together
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0
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66
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August 26, 2025
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ASE website moved to https://ase-lib.org
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0
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62
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August 8, 2025
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How to build a MoS2 nanotube using ase?
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1
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102
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August 4, 2025
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Terminating a minimization based on condition
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2
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91
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August 4, 2025
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Issue reading POSCAR file
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5
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202
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July 25, 2025
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Combined dynamics module in ASE
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4
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99
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July 16, 2025
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Compute electrostatic energy of lattice by Ewald sumation?
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4
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182
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July 16, 2025
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Calculator wrapper for g-xTB
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4
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990
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July 15, 2025
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How does FixSymmetry command work?
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1
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134
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July 15, 2025
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