Commit Graph

267 Commits

Author SHA1 Message Date
moebiusband73
8ae2a6f2f9 Update README.md 2020-08-19 10:06:26 +02:00
Jan Eitzinger
4994d43883 Add documentation for options. 2020-08-19 10:04:34 +02:00
Jan Eitzinger
b1f2e23696 Fix more bugs. Enable optimization for CLANG. 2020-08-19 10:00:19 +02:00
Jan Eitzinger
dcee5f97f2 Add timing and result output. 2020-08-19 09:22:43 +02:00
Jan Eitzinger
71ea8dbb0e Refactor. Fix bug in atom initialization. 2020-08-19 09:00:35 +02:00
Jan Eitzinger
e7869286d7 Introduce modular version. 2020-08-18 14:27:28 +02:00
Jan Eitzinger
b2b910ef64 Extend README 2020-08-17 16:09:40 +02:00
Jan Eitzinger
fdd17bc528 Extend README 2020-08-17 16:07:58 +02:00
Jan Eitzinger
b20b71ca0b First working code. Clean up. 2020-08-17 14:01:46 +02:00
Jan Eitzinger
49cd67f82f Fix bug in ghost atom setup. 2020-08-17 13:20:54 +02:00
Jan Eitzinger
24a2e87e7e Fix bug in logic of setupBoundary. 2020-08-14 13:51:01 +02:00
Jan Eitzinger
9e7cbf5687 Finish border treatment. 2020-08-14 09:31:04 +02:00
Jan Eitzinger
7d0c47da72 Add alternative for setup of ghost atoms. 2020-08-14 08:32:36 +02:00
Jan Eitzinger
a4c2860130 Add boundary ghost layer setup without atom relocation. 2020-08-13 09:43:29 +02:00
Jan Eitzinger
fb763f0dfc Debug. Runs with wrong temp. 2020-08-12 15:38:08 +02:00
Jan Eitzinger
ff45b07749 Initial checkin of simplified miniMD port. Does not work yet. 2020-08-11 16:34:22 +02:00
moebiusband73
0f4be2a9eb Initial commit 2020-07-23 16:41:14 +02:00