- May 03, 2018
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Axel Kohlmeyer authored
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- Mar 04, 2018
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Axel Kohlmeyer authored
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- Feb 25, 2018
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jrgissing authored
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- Feb 22, 2018
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Axel Kohlmeyer authored
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- Feb 21, 2018
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Axel Kohlmeyer authored
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- Feb 20, 2018
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Steven J. Plimpton authored
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- Feb 12, 2018
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jrgissing authored
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- Feb 09, 2018
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Axel Kohlmeyer authored
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- Feb 08, 2018
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jrgissing authored
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- Feb 05, 2018
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Aidan Thompson authored
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- Feb 01, 2018
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Axel Kohlmeyer authored
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- Jan 21, 2018
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Hendrik Heenen authored
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- Jan 16, 2018
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Steven J Plimpton authored
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Steven J Plimpton authored
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Stan Moore authored
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- Jan 09, 2018
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mkanski authored
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- Jan 06, 2018
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Axel Kohlmeyer authored
make python functions examples more complete by adding exception handling and initializing variables
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- Dec 15, 2017
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Richard Berger authored
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Richard Berger authored
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Richard Berger authored
This reverts commit 4d915dba.
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- Dec 06, 2017
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Richard Berger authored
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- Dec 02, 2017
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Richard Berger authored
This is to avoid confusion to what LAMMPS considers to be an integrator like Verlet and RESPA.
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Giacomo Fiorin authored
Removing the loop over atoms by using NumPy array indexing allows to recover performance close to that of plain fix nve.
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Richard Berger authored
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Richard Berger authored
This includes an example of how to implement fix NVE in Python. The library interface was extended to provide direct access to atom data using numpy arrays. No data copies are made and numpy operations directly manipulate memory of the native code. To keep this numpy dependency optional, all functions are wrapped into the lammps.numpy sub-object which is only loaded when accessed.
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- Nov 28, 2017
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Axel Kohlmeyer authored
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Axel Kohlmeyer authored
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- Nov 27, 2017
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Jaap Kroes authored
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- Nov 13, 2017
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Axel Kohlmeyer authored
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Steve Plimpton authored
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- Oct 26, 2017
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Stefan Paquay authored
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Stefan Paquay authored
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- Oct 20, 2017
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Axel Kohlmeyer authored
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vishalkenchan authored
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- Oct 18, 2017
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Steve Plimpton authored
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- Oct 04, 2017
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Ulf R. Pedersen authored
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- Oct 03, 2017
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Axel Kohlmeyer authored
- move example folder to examples/USER/misc/ - comment out writing of trajectory files - reduce run length (for easier testing for regressions) - record example outputs for 1 and 4 MPI processes - rename readme.md to README.md for visibility
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Ulf R. Pedersen authored
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Ulf R. Pedersen authored
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Ulf R. Pedersen authored
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