Jan Eitzinger
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6679b6c8aa
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Simplify macros for data structure access.
Still segvaults for AoS.
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2021-03-23 09:26:41 +01:00 |
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Rafael Ravedutti
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cb0ae2b0bb
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Replace inline calls by macros
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
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2021-03-22 21:51:47 +01:00 |
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Rafael Ravedutti
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3f7edb5dbf
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Add support for AoS data layout
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
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2021-03-20 18:32:50 +01:00 |
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Jan Eitzinger
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b39957421c
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Include Likwid Markers. Allow to switch between SP and DP floats.
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2020-11-05 12:41:44 +01:00 |
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moebiusband73
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b45ab26e03
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Update README.md
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2020-09-07 07:42:45 +02:00 |
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Jan Eitzinger
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fb0ef3fa12
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Adapt ICC build config
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2020-08-19 13:53:44 +02:00 |
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Jan Eitzinger
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0fd51e8a9c
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Add OpenMP parallelization for computeForce.
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2020-08-19 11:19:16 +02:00 |
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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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414d24d0a9
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Update README.
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2020-08-19 10:23:25 +02:00 |
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moebiusband73
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c6fa97770a
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Update README.md
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2020-08-19 10:08:00 +02:00 |
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moebiusband73
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8ae2a6f2f9
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Update README.md
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2020-08-19 10:06:26 +02:00 |
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Jan Eitzinger
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4994d43883
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Add documentation for options.
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2020-08-19 10:04:34 +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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b2b910ef64
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Extend README
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2020-08-17 16:09:40 +02:00 |
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Jan Eitzinger
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fdd17bc528
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Extend README
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2020-08-17 16:07:58 +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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moebiusband73
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0f4be2a9eb
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Initial commit
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2020-07-23 16:41:14 +02:00 |
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