May 2017 Archives by subject

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Starting: Tue May 2 06:51:28 CEST 2017
Ending: Wed May 31 17:45:22 CEST 2017
Messages: 70

• [ase-users] ASE Calculator: delete temporary directory after calculation   Adam Jackson
• [ase-users] ASE Calculator: delete temporary directory after calculation ?   Emmanuel FARHI
• [ase-users] ASE Calculator: delete temporary directory after calculation ?   Gaël Donval
• [ase-users] ASE gui on windows 7   fabian
• [ase-users] ASE gui on windows 7   Ask Hjorth Larsen
• [ase-users] ASE test failed   Punit Kumar
• [ase-users] ASE test failed   Kondov, Ivan (SCC)
• [ase-users] ase-users Digest, Vol 107, Issue 11   Heine Hansen
• [ase-users] ase-users Digest, Vol 107, Issue 6   fabian
• [ase-users] AssertionError while installing GPAW   Nam Tran
• [ase-users] AssertionError while installing GPAW   Ask Hjorth Larsen
• [ase-users] Atoms' Constraints   陳佑任
• [ase-users] Code-sprint moved to tomorrow   Jens Jørgen Mortensen
• [ase-users] Code-sprint moved to tomorrow   Mikkel Strange
• [ase-users] Comparison of Vibrational Frequencies Obtained from VASP and ASE   Kondov, Ivan (SCC)
• [ase-users] Comparison of Vibrational Frequencies Obtained from VASP and ASE   陳佑任
• [ase-users] DFTD3 calculator which interfaces with the dftd3 reference implementation   Eric Hermes
• [ase-users] DFTD3 calculator which interfaces with the dftd3 reference implementation   Ask Hjorth Larsen
• [ase-users] Error reading xsd files   Oscar Xavier Guerrero
• [ase-users] Error reading xsd files   Gaël Donval
• [ase-users] Getting magnetic moments from vasp   Protik Das
• [ase-users] Getting magnetic moments from vasp   Kondov, Ivan (SCC)
• [ase-users] Getting magnetic moments from vasp   Protik Das
• [ase-users] Getting magnetic moments from vasp   Protik Das
• [ase-users] Getting magnetic moments from vasp   Kondov, Ivan (SCC)
• [ase-users] Getting magnetic moments from vasp   Protik Das
• [ase-users] Installation test Failed   Henry Martin
• [ase-users] Installation test Failed   Jens Jørgen Mortensen
• [ase-users] Miller Indices for Lattice Module   Baichuan.Sun at data61.csiro.au
• [ase-users] Miller Indices for Lattice Module   Jakob Schiøtz
• [ase-users] Miller Indices for Lattice Module   Baichuan.Sun at data61.csiro.au
• [ase-users] missing FixAtoms contraints in turbomole 'coord'   Kondov, Ivan (SCC)
• [ase-users] missing FixAtoms contraints in turbomole 'coord'   Jens Jørgen Mortensen
• [ase-users] Preconditioned LBFGS - RuntimeError: a1 too small, giving up   Ulrik Leffers
• [ase-users] Preconditioned LBFGS - RuntimeError: a1 too small, giving up   Rasmus Karlsson
• [ase-users] Preconditioned LBFGS - RuntimeError: a1 too small, giving up   Noam Bernstein
• [ase-users] PreconLBFGS and broken symmetry   Jens Jørgen Mortensen
• [ase-users] PreconLBFGS and broken symmetry   James Kermode
• [ase-users] PreconLBFGS and broken symmetry   Jens Jørgen Mortensen
• [ase-users] PreconLBFGS and broken symmetry   Noam Bernstein
• [ase-users] PreconLBFGS and broken symmetry   James Kermode
• [ase-users] python -m ase.test failed   ? ?
• [ase-users] python -m ase.test failed   Tom Daff
• [ase-users] Read only atom positions from CHGCAR file   fabian
• [ase-users] Read only atom positions from CHGCAR file   Tristan Maxson
• [ase-users] Read only atom positions from CHGCAR file   fabian
• [ase-users] Special points error for FCC structure   Protik Das
• [ase-users] Special points error for FCC structure   Gaël Donval
• [ase-users] Split POSCAR/CONTCAR files   fabian
• [ase-users] Split POSCAR/CONTCAR files   Oscar Xavier Guerrero
• [ase-users] Split POSCAR/CONTCAR files   fabian
• [ase-users] Superimpose a structural model onto slices through a CHGCAR file   fabian
• [ase-users] Superimpose a structural model onto slices through a CHGCAR file   Gaël Donval
• [ase-users] Superimpose a structural model onto slices through a CHGCAR file   Gaël Donval
• [ase-users] Superimpose a structural model onto slices through a CHGCAR file (Ga?l Donval)   fabian
• [ase-users] test fail   Panu Sam-Ang
• [ase-users] test fail   Gaël Donval
• [ase-users] test failure   Panu Sam-Ang
• [ase-users] turbomole calculator   Kondov, Ivan (SCC)
• [ase-users] turbomole calculator   Jens Jørgen Mortensen
• [ase-users] turbomole calculator   Kondov, Ivan (SCC)
• [ase-users] Use QMMM function to couple LAMMPS and GPAW   Nam Tran
• [ase-users] VASP calculator does not work with python3   Евгений Васильевич Тихонов
• [ase-users] VASP calculator fix for python3.4   Евгений Васильевич Тихонов
• [ase-users] VASP calculator fix for python3.4   Eric Hermes
• [ase-users] Version confusion   Martin Baeker
• [ase-users] Version confusion   Jens Jørgen Mortensen
• [ase-users] Version confusion   Jens Jørgen Mortensen
• [ase-users] Version confusion   Martin Baeker
• [ase-users] Visualize forces of Atoms with user-defined force constraint   Held, Alexander

Last message date: Wed May 31 17:45:22 CEST 2017
Archived on: Wed May 31 17:45:32 CEST 2017

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