Rafael Ravedutti
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e48b3fb653
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Add option to check if cj is local before applying reaction force
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
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2022-04-04 21:52:40 +02:00 |
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Rafael Ravedutti
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5df544637f
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Fix force calculation time in LAMMPS variant
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
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2022-03-17 02:53:58 +01:00 |
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Rafael Ravedutti
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cecb31d6a9
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Update params for argon_1000 test case
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
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2022-03-07 14:49:38 +01:00 |
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Rafael Ravedutti
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ba6785a865
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Allow parameter reading from files and update data
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
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2022-03-05 03:21:52 +01:00 |
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Rafael Ravedutti
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d0ec9520f2
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Write function to read PDB files and include data for Argon simulation
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
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2022-02-24 02:36:17 +01:00 |
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Rafael Ravedutti
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bb21a885a1
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Add new setups for Copper melting with LJ and EAM
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
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2021-11-30 01:33:55 +01:00 |
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