Jan Eitzinger
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a0acce6cb3
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Switch License to LGPL3
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2020-08-19 10:47:40 +02:00 |
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Jan Eitzinger
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b1f2e23696
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Fix more bugs. Enable optimization for CLANG.
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2020-08-19 10:00:19 +02:00 |
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Jan Eitzinger
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dcee5f97f2
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Add timing and result output.
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2020-08-19 09:22:43 +02:00 |
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Jan Eitzinger
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71ea8dbb0e
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Refactor. Fix bug in atom initialization.
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2020-08-19 09:00:35 +02:00 |
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Jan Eitzinger
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e7869286d7
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Introduce modular version.
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2020-08-18 14:27:28 +02:00 |
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Jan Eitzinger
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b20b71ca0b
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First working code. Clean up.
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2020-08-17 14:01:46 +02:00 |
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Jan Eitzinger
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49cd67f82f
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Fix bug in ghost atom setup.
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2020-08-17 13:20:54 +02:00 |
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Jan Eitzinger
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24a2e87e7e
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Fix bug in logic of setupBoundary.
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2020-08-14 13:51:01 +02:00 |
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Jan Eitzinger
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9e7cbf5687
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Finish border treatment.
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2020-08-14 09:31:04 +02:00 |
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Jan Eitzinger
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7d0c47da72
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Add alternative for setup of ghost atoms.
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2020-08-14 08:32:36 +02:00 |
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Jan Eitzinger
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a4c2860130
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Add boundary ghost layer setup without atom relocation.
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2020-08-13 09:43:29 +02:00 |
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Jan Eitzinger
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fb763f0dfc
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Debug. Runs with wrong temp.
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2020-08-12 15:38:08 +02:00 |
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Jan Eitzinger
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ff45b07749
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Initial checkin of simplified miniMD port. Does not work yet.
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2020-08-11 16:34:22 +02:00 |
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