ASE
| Topic | Replies | Views | Activity | |
|---|---|---|---|---|
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Kim calculator problem
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1 | 77 | July 13, 2021 |
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Cell size on adsorption calculations
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0 | 23 | July 3, 2021 |
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Periodic Boundary Conditions
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1 | 47 | June 28, 2021 |
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Error during tests ase tests
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1 | 39 | June 26, 2021 |
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Phonon eigenvectors from ASE and GULP
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1 | 68 | 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 | 61 | 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 | 41 | May 8, 2021 |
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Want to read massive lammps trajectory file
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2 | 74 | May 4, 2021 |
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Add plot to ASE DB
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1 | 75 | May 2, 2021 |
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SimpleQMMM does not make correct qmatoms
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0 | 50 | April 7, 2021 |
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Unable to read atom symbols from lammps trajectory file
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1 | 90 | March 27, 2021 |
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Automatic Coverage with ASE-GUI/Pymatgen
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1 | 137 | March 23, 2021 |
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Getting the atom coordinates in a bulk system
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4 | 91 | March 23, 2021 |
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How to create *.json file of CASTEP
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2 | 101 | March 15, 2021 |
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How in depth is the setup in ASE?
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4 | 170 | February 11, 2021 |