moebiusband/MD-Bench
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  • fb0ef3fa12 Adapt ICC build config Jan Eitzinger 2020-08-19 13:53:44 +0200
  • 0fd51e8a9c Add OpenMP parallelization for computeForce. Jan Eitzinger 2020-08-19 11:19:16 +0200
  • a0acce6cb3 Switch License to LGPL3 Jan Eitzinger 2020-08-19 10:47:40 +0200
  • 414d24d0a9 Update README. Jan Eitzinger 2020-08-19 10:23:25 +0200
  • c6fa97770a Update README.md moebiusband73 2020-08-19 10:08:00 +0200
  • 8ae2a6f2f9 Update README.md moebiusband73 2020-08-19 10:06:26 +0200
  • 4994d43883 Add documentation for options. Jan Eitzinger 2020-08-19 10:04:34 +0200
  • b1f2e23696 Fix more bugs. Enable optimization for CLANG. Jan Eitzinger 2020-08-19 10:00:19 +0200
  • dcee5f97f2 Add timing and result output. Jan Eitzinger 2020-08-19 09:22:43 +0200
  • 71ea8dbb0e Refactor. Fix bug in atom initialization. Jan Eitzinger 2020-08-19 09:00:35 +0200
  • e7869286d7 Introduce modular version. Jan Eitzinger 2020-08-18 14:27:28 +0200
  • b2b910ef64 Extend README Jan Eitzinger 2020-08-17 16:09:40 +0200
  • fdd17bc528 Extend README Jan Eitzinger 2020-08-17 16:07:58 +0200
  • b20b71ca0b First working code. Clean up. Jan Eitzinger 2020-08-17 14:01:46 +0200
  • 49cd67f82f Fix bug in ghost atom setup. Jan Eitzinger 2020-08-17 13:20:54 +0200
  • 24a2e87e7e Fix bug in logic of setupBoundary. Jan Eitzinger 2020-08-14 13:51:01 +0200
  • 9e7cbf5687 Finish border treatment. Jan Eitzinger 2020-08-14 09:31:04 +0200
  • 7d0c47da72 Add alternative for setup of ghost atoms. Jan Eitzinger 2020-08-14 08:32:36 +0200
  • a4c2860130 Add boundary ghost layer setup without atom relocation. Jan Eitzinger 2020-08-13 09:43:29 +0200
  • fb763f0dfc Debug. Runs with wrong temp. Jan Eitzinger 2020-08-12 15:38:08 +0200
  • ff45b07749 Initial checkin of simplified miniMD port. Does not work yet. Jan Eitzinger 2020-08-11 16:34:22 +0200
  • 0f4be2a9eb Initial commit moebiusband73 2020-07-23 16:41:14 +0200