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fc4ca0503e
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make --rdffile, --units, and --temperature required arguments
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2023-03-03 20:51:28 -05:00 |
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c3c6c5f154
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python2 compatibility (or rather scipy of python2) and avoid NaNs
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2023-03-03 20:50:56 -05:00 |
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e4b1a33ced
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Corrected error in temperature argument managment, added unit as a
command-line parameter
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2023-03-03 15:32:46 +01:00 |
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eb750f0217
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Adde temperature for BI as a command-line argument
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2023-03-03 15:22:49 +01:00 |
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4612cd94f0
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Removed bits of useless force computation.
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2023-03-03 15:12:27 +01:00 |
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67d4893f6e
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Added Warning section to pair_bi_tabulate.py file.
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2023-03-03 15:10:36 +01:00 |
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f23c2494ea
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Created tool file tools/tabulate/pair_bi_tabulate.py
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2023-03-03 14:49:38 +01:00 |
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