March 2017 Archives by thread

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Starting: Wed Mar 1 10:05:58 CET 2017
Ending: Fri Mar 31 20:35:07 CEST 2017
Messages: 85

• [ase-users] atomic numbers outside the physical range   Jens Jørgen Mortensen
  • [ase-users] atomic numbers outside the physical range   Noam Bernstein
    • [ase-users] atomic numbers outside the physical range   Jens Jørgen Mortensen
      • [ase-users] atomic numbers outside the physical range   Jens Jørgen Mortensen
      • [ase-users] atomic numbers outside the physical range   Gaël Donval
      • [ase-users] atomic numbers outside the physical range   Jens Jørgen Mortensen
      • [ase-users] atomic numbers outside the physical range   Gaël Donval
      • [ase-users] atomic numbers outside the physical range   Jens Jørgen Mortensen
      • [ase-users] atomic numbers outside the physical range   Gaël Donval
• [ase-users] failing tests.   Franck Olivier Ngassam Nyakam
• [ase-users] failing tests.   Adam Jackson
• [ase-users] Weird behaviour in "Parameters" class defined in calculator.py   Joakim Löfgren
  • [ase-users] Weird behaviour in "Parameters" class defined in calculator.py   Jens Jørgen Mortensen
• [ase-users] Particle_mutations in GA   Alexander Romanov
  • [ase-users] Particle_mutations in GA   Steen Lysgaard
    • [ase-users] Particle_mutations in GA   Alexander Romanov
      • [ase-users] Particle_mutations in GA   Alexander Romanov
      • [ase-users] Particle_mutations in GA   Alexander Romanov
    • [ase-users] Particle_mutations in GA   Alexander Romanov
      • [ase-users] Particle_mutations in GA   Alexander Romanov
      • [ase-users] Particle_mutations in GA   Steen Lysgaard
      • [ase-users] Particle_mutations in GA   Alexander Romanov
• [ase-users] quantum espresso -ase   Alexandra Davila
  • [ase-users] quantum espresso -ase   Tom Daff
• [ase-users] ase-db question on booleans   John Kitchin
  • [ase-users] ase-db question on booleans   Ask Hjorth Larsen
    • [ase-users] ase-db question on booleans   John Kitchin
• [ase-users] ase.test error   Jincheng Lei
  • [ase-users] ase.test error   Ask Hjorth Larsen
• [ase-users] Query about NEB   Protik Das
  • [ase-users] Query about NEB   Ask Hjorth Larsen
    • [ase-users] Query about NEB   Protik Das
      • [ase-users] Query about NEB   Ask Hjorth Larsen
      • [ase-users] Query about NEB   Protik Das
      • [ase-users] Query about NEB   Eric Hermes
• [ase-users] Help   Franck Olivier Ngassam Nyakam
  • [ase-users] Help   Ask Hjorth Larsen
• [ase-users] Help   Ask Hjorth Larsen
• [ase-users] help   Franck Olivier Ngassam Nyakam
  • [ase-users] help   Niels Bendtsen Halck
• [ase-users] help   Franck Olivier Ngassam Nyakam
  • [ase-users] help   Niels Bendtsen Halck
• [ase-users] help   Franck Olivier Ngassam Nyakam
  • [ase-users] help   Niels Bendtsen Halck
• [ase-users] GUI expert mode   Sascha Thinius
  • [ase-users] GUI expert mode   Ask Hjorth Larsen
• [ase-users] GUI expert mode   Ask Hjorth Larsen
  • [ase-users] GUI expert mode   Jens Jørgen Mortensen
    • [ase-users] GUI expert mode   Tristan Maxson
• [ase-users] Merging !269, which splits ase/calculators/vasp.py   Eric Hermes
  • [ase-users] Merging !269, which splits ase/calculators/vasp.py   Protik Das
• [ase-users] ASE LAMMPS: update Atoms object coordinates and use constraints   Spencer Hills
  • [ase-users] ASE LAMMPS: update Atoms object coordinates and use constraints   -
    • [ase-users] ASE LAMMPS: update Atoms object coordinates and use constraints   Spencer Hills
      • [ase-users] ASE LAMMPS: update Atoms object coordinates and use constraints   -
      • [ase-users] ASE LAMMPS: update Atoms object coordinates and use constraints   Spencer Hills
• [ase-users] IDPP method slow or not working for large system   Garold Murdachaew
  • [ase-users] IDPP method slow or not working for large system   Gaël Donval
  • [ase-users] IDPP method slow or not working for large system   Jens Jørgen Mortensen
    • [ase-users] IDPP method slow or not working for large system   Garold Murdachaew
      • [ase-users] IDPP method slow or not working for large system   Jens Jørgen Mortensen
• [ase-users] ImportError: No module named build   Georges Landa
  • [ase-users] ImportError: No module named build   Gaël Donval
• [ase-users] speeding up thermochemistry calculations   Claudio A. Perottoni
  • [ase-users] speeding up thermochemistry calculations   Eric Hermes
    • [ase-users] speeding up thermochemistry calculations   Claudio A. Perottoni
      • [ase-users] speeding up thermochemistry calculations   Jens Jørgen Mortensen
• [ase-users] One command line tool "ase" to replace all the other ones ("ase-gui", "ase-db", ...)   Jens Jørgen Mortensen
  • [ase-users] One command line tool "ase" to replace all the other ones ("ase-gui", "ase-db", ...)   Ask Hjorth Larsen
• [ase-users] how to converts a molecular to SMILES representations or ECFP?   刘晓彤
• [ase-users] problem with the definition of space group 86 in ase.spacegroup.crystal function   Musil Félix
• [ase-users] Support for ORCA in ASE?   Martin Rahm
  • [ase-users] Support for ORCA in ASE?   Rasmus Karlsson
  • [ase-users] Support for ORCA in ASE?   -
• [ase-users] speeding up thermochemistry calculations   Claudio A. Perottoni
• [ase-users] Constraints issue in vasp calculator   Protik Das
  • [ase-users] Constraints issue in vasp calculator   Eric Hermes
    • [ase-users] Constraints issue in vasp calculator   Protik Das
      • [ase-users] Constraints issue in vasp calculator   Eric Hermes
      • [ase-users] Constraints issue in vasp calculator   Protik Das
• [ase-users] failing tests   Panu Sam-Ang
• [ase-users] ase-users Digest, Vol 105, Issue 33   Adam Jackson
• [ase-users] MPI ASE   Jwala Parajuli
  • [ase-users] MPI ASE   Tristan Maxson
• [ase-users] no energies in trajectory file for specific combination of siesta and neb   Louwerse, M.J. (Manuel)

Last message date: Fri Mar 31 20:35:07 CEST 2017
Archived on: Fri Mar 31 21:59:22 CEST 2017

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