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Having issue to run ASE's LAMMPSlib on a cluster (CentOS)
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7
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34
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May 13, 2022
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Errors in ASE
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0
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48
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April 27, 2022
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Width in DOS
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1
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86
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April 11, 2022
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Errors in ase test
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1
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69
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April 11, 2022
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GPAW atoms limit
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1
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87
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February 21, 2022
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What is the velocity unit for atoms object?
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2
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167
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January 11, 2022
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What is the principle of generating INCAR tags in ASE?
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0
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76
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January 5, 2022
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Implemeting SciPY from pymatgen output
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1
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202
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December 13, 2021
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ASE convesion of Trajectory file to XDATCAR
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0
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122
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December 8, 2021
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OpenKim Model Drivers to utilize Neural Network Potentials in ASE
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7
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276
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November 23, 2021
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How to run .traj file inside python?
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2
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178
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September 24, 2021
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How to set pomass for different elements in calc.set()?
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1
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103
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September 16, 2021
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The meaning of force call in BFGSLinearsearch method
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2
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158
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September 16, 2021
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Python Package and guide on integrating Fireworks, ASE and VASP. What does your cloud architecture look like?
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3
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245
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August 22, 2021
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Cell size on adsorption calculations
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2
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199
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August 7, 2021
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Creating oriented structure in pymatgen
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0
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237
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July 23, 2021
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Kim calculator problem
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1
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226
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July 13, 2021
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Error during tests ase tests
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1
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337
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June 26, 2021
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Alternative to get_cell() ase method for pymatgen
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1
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148
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May 9, 2021
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