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The meaning of force call in BFGSLinearsearch method
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2
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467
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September 16, 2021
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Using a molecule not specified in g2 collection neither in Pubchem database
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1
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343
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September 15, 2021
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Build an orthogonal box in ASE?
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1
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318
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September 15, 2021
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How to retrieve the amount of vacuum in a unit cell?
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1
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303
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August 24, 2021
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OpenKIM Seeking Computational Researcher
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0
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283
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August 19, 2021
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Cell size on adsorption calculations
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2
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523
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August 7, 2021
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Is there a way to write ASE GUI image with charges?
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2
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389
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August 7, 2021
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ASE Linux
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1
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357
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August 5, 2021
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Kim calculator problem
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1
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448
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July 13, 2021
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Periodic Boundary Conditions
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1
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866
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June 28, 2021
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Error during tests ase tests
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1
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1020
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June 26, 2021
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Phonon eigenvectors from ASE and GULP
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1
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765
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June 25, 2021
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How to have scale_atoms=True, but scale the atoms only in the xy plane?
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2
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859
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May 30, 2021
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What does the periodic option in build surface routines such as build.fcc111()?
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2
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312
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May 8, 2021
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Want to read massive lammps trajectory file
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2
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1206
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May 4, 2021
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Add plot to ASE DB
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1
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392
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May 2, 2021
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SimpleQMMM does not make correct qmatoms
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0
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317
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April 7, 2021
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Unable to read atom symbols from lammps trajectory file
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1
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833
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March 27, 2021
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Automatic Coverage with ASE-GUI/Pymatgen
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1
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1541
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March 23, 2021
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Getting the atom coordinates in a bulk system
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4
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893
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March 23, 2021
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How to create *.json file of CASTEP
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2
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853
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March 15, 2021
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How in depth is the setup in ASE?
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4
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592
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February 11, 2021
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