January 2018 Archives by subject
Starting: Mon Jan 1 06:56:19 CET 2018
Ending: Wed Jan 31 17:21:55 CET 2018
Messages: 94
- [ase-users] ASE database encoding of Atoms data
Jens Jørgen Mortensen
- [ase-users] ase fails suddenly / No Menu in gui
fabian
- [ase-users] ase-users Digest, Vol 114, Issue 11
Ask Hjorth Larsen
- [ase-users] ase-users Digest, Vol 114, Issue 11
fabian
- [ase-users] ase-users Digest, Vol 114, Issue 11
Ask Hjorth Larsen
- [ase-users] ase-users Digest, Vol 114, Issue 11
fabian
- [ase-users] ase-users Digest, Vol 114, Issue 11
Ask Hjorth Larsen
- [ase-users] ase-users Digest, Vol 115, Issue 4
Abid Channa
- [ase-users] atoms.set_angles question
Andrew Rosen
- [ase-users] atoms.set_angles question
Andrew Rosen
- [ase-users] atoms.set_angles question
Jens Jørgen Mortensen
- [ase-users] atoms.set_angles question
Andrew Rosen
- [ase-users] Calculating core-level shifts in one System and between different systems with VASP
fabian
- [ase-users] Calculating core-level shifts in one System and between different systems with VASP
Melissa A. Hines
- [ase-users] EMT-PES Script
Jens Jørgen Mortensen
- [ase-users] EMT-PES Script
Jens Jørgen Mortensen
- [ase-users] Feature request: copy() method for a vasp calculator object
Ask Hjorth Larsen
- [ase-users] Feature request: copy() method for a vasp calculator object
Protik Das
- [ase-users] Feature request: copy() method for a vasp calculator object
Tom Daff
- [ase-users] Fluctuating forces-NEB
Divya Bohra - TNW
- [ase-users] GULP calculator in ASE with periodic boundary conditions
Ask Hjorth Larsen
- [ase-users] GULP calculator in ASE with periodic boundary conditions
Ask Hjorth Larsen
- [ase-users] GULP calculator in ASE with periodic boundary conditions
James Aston
- [ase-users] GULP calculator in ASE with periodic boundary conditions
James Aston
- [ase-users] hcp0001 surface of La2O3
Punit Kumar
- [ase-users] hcp0001 surface of La2O3
Ask Hjorth Larsen
- [ase-users] How to check if a POSCAR file has constraints?
fabian
- [ase-users] How to check if a POSCAR file has constraints?
Duy Le
- [ase-users] Implementing our own calculator
Phani Motamarri
- [ase-users] Implementing our own calculator
Ask Hjorth Larsen
- [ase-users] Installing ASE: Handling ase test errors
JOSHUA MATEO SALAZAR MEJIA
- [ase-users] Installing ASE: Handling ase test errors
Jens Jørgen Mortensen
- [ase-users] Installing ASE: Handling ase test errors
Jens Jørgen Mortensen
- [ase-users] Making orthorgonal 3x3x6 of Pt(111)
Kofi Oware Sarfo
- [ase-users] Making orthorgonal 3x3x6 of Pt(111)
Eric Hermes
- [ase-users] NEB Calculation
Abid Channa
- [ase-users] NEB Calculation
Ask Hjorth Larsen
- [ase-users] NEB Calculation
Abid Channa
- [ase-users] NEB Calculation
Ask Hjorth Larsen
- [ase-users] NEB Calculation
Abid Channa
- [ase-users] NEB Calculation
Ask Hjorth Larsen
- [ase-users] NEB Calculation
Abid Channa
- [ase-users] NEB Calculation
Ask Hjorth Larsen
- [ase-users] NEB Calculation
Abid Channa
- [ase-users] NEB Calculation
Ask Hjorth Larsen
- [ase-users] NEB Calculation
Abid Channa
- [ase-users] NEB Calculation
Ask Hjorth Larsen
- [ase-users] NEB Calculation
Abid Channa
- [ase-users] NEB Calculation
Ask Hjorth Larsen
- [ase-users] No bin dir in tarball
Ask Hjorth Larsen
- [ase-users] oxygen terminated la2o3 surface
Punit Kumar
- [ase-users] oxygen terminated la2o3 surface
Ask Hjorth Larsen
- [ase-users] oxygen terminated la2o3 surface
Punit Kumar
- [ase-users] Problem Restarting Constrained Relaxation with Vasp Calculator
Andrew Rosen
- [ase-users] Problem Restarting Constrained Relaxation with Vasp Calculator
Eric Hermes
- [ase-users] python3 encoding error?
Glenn Jones
- [ase-users] python3 encoding error?
Jens Jørgen Mortensen
- [ase-users] python3 encoding error?
Glenn Jones
- [ase-users] python3 encoding error?
Glenn Jones
- [ase-users] python3 encoding error?
Jens Jørgen Mortensen
- [ase-users] Questions regarding the calculate() method
Kondov, Ivan (SCC)
- [ase-users] Questions regarding the calculate() method
Ask Hjorth Larsen
- [ase-users] Questions regarding the calculate() method
Kondov, Ivan (SCC)
- [ase-users] Questions regarding the calculate() method
Ask Hjorth Larsen
- [ase-users] Relax unit cell with strain
Protik Das
- [ase-users] Relax unit cell with strain
James Kermode
- [ase-users] Relax unit cell with strain
Protik Das
- [ase-users] Some glitches in ASE-3.15.x
Chang Liu
- [ase-users] Some glitches in ASE-3.15.x
Chang Liu
- [ase-users] Some glitches in ASE-3.15.x
Jens Jørgen Mortensen
- [ase-users] Some glitches in ASE-3.15.x
Ask Hjorth Larsen
- [ase-users] Some glitches in ASE-3.15.x
Jens Jørgen Mortensen
- [ase-users] Some glitches in ASE-3.15.x
Chang Liu
- [ase-users] Some glitches in ASE-3.15.x
Jens Jørgen Mortensen
- [ase-users] Some glitches in ASE-3.15.x
Chang Liu
- [ase-users] Sorting the atoms by type is ASE Atoms object
Spencer Hills
- [ase-users] Sorting the atoms by type is ASE Atoms object
Spencer Hills
- [ase-users] Sorting the atoms by type is ASE Atoms object
Ask Hjorth Larsen
- [ase-users] Sorting the atoms by type is ASE Atoms object
Spencer Hills
- [ase-users] Structure Optimization in NEB via Vasp
Dennis Trujillo
- [ase-users] Structure Optimization in NEB via Vasp
Dennis Trujillo
- [ase-users] system_changes always indicates everything has changed
Ask Hjorth Larsen
- [ase-users] system_changes always indicates everything has changed
Ellad Tadmor
- [ase-users] system_changes always indicates everything has changed
James Kermode
- [ase-users] There is one error while running the command ase test
Anant Ojha
- [ase-users] There is one error while running the command ase test
Ask Hjorth Larsen
- [ase-users] There is one error while running the command ase test
Anant Ojha
- [ase-users] There is one error while running the command ase test
Anant Ojha
- [ase-users] tip3p and QMMM
daniele selli
- [ase-users] tip3p and QMMM
Gianluca Levi
- [ase-users] Upcoming release 3.16.0
Ask Hjorth Larsen
- [ase-users] vibration analysis with reaxff
Claudio A. Perottoni
- [ase-users] vibration analysis with reaxff
Avakyan L.A.
- [ase-users] Windows tests on AppVeyor
Jens Jørgen Mortensen
Last message date:
Wed Jan 31 17:21:55 CET 2018
Archived on: Wed Jan 31 17:22:08 CET 2018
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