Merge branch 'efficient_neuronet' into lammm-devel
Description
Description
Details
Details
- Committed
junge Oct 20 2017, 11:47 - Pushed
junge Oct 20 2017, 11:51 - Parents
- rLAMMPSb45fb6713b7f: state at discussion with daniele
rLAMMPS13bc8ff59733: final state cneuronet - Branches
- Unknown
- Tags
Merged Changes
Merged Changes
| Commit | Author | Details | Committed | |||
|---|---|---|---|---|---|---|
| 13bc8ff59733 | junge | final state cneuronet | Oct 3 2017 | |||
| 4f65214374a5 | junge | starting to converge | Nov 25 2016 | |||
| 54b3c132547e | junge | in debugging mat-vec acceleration | Nov 24 2016 | |||
| da035f544113 | junge | Functional and robust, but slow | Nov 24 2016 | |||
| f8f387e54aa4 | junge | report mostly done | Nov 24 2016 | |||
| 7be4149876e5 | junge | report taking shape | Nov 23 2016 | |||
| 06c4402e598b | junge | Confirmed correct behaviour in two-atom system | Nov 23 2016 | |||
| dc8a7e4273f7 | junge | First time functional looking | Nov 22 2016 | |||
| c2e6ebe10955 | junge | Forces correct! just need to correct ghosts now | Nov 22 2016 | |||
| 3c030b5fdba0 | junge | slightly messed up state | Nov 21 2016 | |||
| ba6bee2443ea | junge | unfunctional forces | Nov 18 2016 | |||
| f9a4fb669e70 | junge | Energy computation correct, improved weigh_nei iterator | Nov 18 2016 | |||
| 53ad0862fd34 | junge | theoretically feature complete, compiles, results wrong | Nov 16 2016 | |||
| 8ae62e8d043b | junge | added cneuronet test | Nov 16 2016 | |||
| c6c331704fc8 | junge | still not functional | Nov 15 2016 | |||
| 49804d97059f | junge | still not functional | Nov 13 2016 | |||
| 3526537eb83f | junge | intermediate and unfunctional | Nov 13 2016 | |||
| 775e8f3cc8f5 | junge | mostly tested, ready to go main | Nov 7 2016 | |||
| a96d5dcf7eed | junge | Fixed pointless re-allocations | Nov 3 2016 | |||
| e9c79e2ccc41 | junge | Fixed handling of periodic ghost atoms | Nov 3 2016 | |||
| f5a9a0b3a196 | junge | Added reference output, to be checked after modifs | Oct 28 2016 | |||
| 54e59b9c658c | junge | Verified, yields identical results to pmd | Oct 28 2016 | |||
| b5ca9162c1f1 | junge | Runs without memory issues, not tested yet | Oct 27 2016 | |||
| b8881218030b | junge | All module variables are now class members | Oct 26 2016 | |||
| c40fdd35b65a | junge | restart read/write added | Oct 26 2016 | |||
| 7a23f3894a40 | junge | Compiles, untested, no restart | Oct 26 2016 | |||
| 8bdd57215fa3 | junge | Now links (except mpi) | Oct 24 2016 | |||
| dadf60427b97 | junge | unfunctional state | Oct 24 2016 | |||
| 2f9df80ebe0d | junge | Merge branch 'master' into lammm-master | Oct 23 2016 | |||
| d598c275dba1 | junge | cleanup | Oct 23 2016 | |||
| 79922fb24136 | junge | Added files for Ryo's neural networks | Oct 6 2016 | |||
| e7e5ba4e4688 | Axel Kohlmeyer | Merge remote-tracking branch 'lammps-ro/master' into lammps-icms | Sep 23 2016 | |||
| fd2ac15c2ead | Axel Kohlmeyer | Merge remote-tracking branch 'lammps-ro/master' into lammps-icms | Sep 22 2016 | |||
| e6ac7757a374 | Axel Kohlmeyer | fix bug in fix_modify respa reported by steven early strong on lammps-users | Sep 22 2016 | |||
| 41b945d0514c | Axel Kohlmeyer | restore bugfixes and updates that were lost. flag time dependet. correct use of… | Sep 21 2016 | |||
| 6b3c505fbee3 | Axel Kohlmeyer | need to add removed fix ti/rs to purge list | Sep 21 2016 | |||
| d298283b5671 | Axel Kohlmeyer | Merge remote-tracking branch 'lammps-ro/master' into lammps-icms | Sep 21 2016 | |||
| 1dbd52a30cf7 | Axel Kohlmeyer | remove debug code | Sep 20 2016 | |||
| 7cc79de530b8 | Axel Kohlmeyer | demote OMP_NUM_THREAD "warning" to "message" in the hope to be less confusing… | Sep 20 2016 | |||
| bc11518960b8 | Axel Kohlmeyer | fix argument indexing bug in fix ave/atom | Sep 20 2016 | |||
| 34ccbd726601 | Axel Kohlmeyer | Merge remote-tracking branch 'lammps-ro/master' into lammps-icms | Sep 19 2016 | |||
| 6eca661e4a54 | Axel Kohlmeyer | Merge remote-tracking branch 'lammps-ro/master' into lammps-icms | Sep 17 2016 | |||
| d66493ca13c8 | Axel Kohlmeyer | whitespace cleanup | Sep 16 2016 | |||
| 21777f52604f | Axel Kohlmeyer | permissions cleanup | Sep 16 2016 | |||
| 0197738285ae | Axel Kohlmeyer | Merge branch 'lammps-icms' of bitbucket.org:akohlmey/lammps-icms into lammps… | Sep 16 2016 | |||
| 1ba7f726cce2 | Axel Kohlmeyer | Merge remote-tracking branch 'lammps-ro/master' into lammps-icms | Sep 16 2016 | |||
| e30420fc464f | Axel Kohlmeyer | make certain, that -log() doesn't overflow and assign a suitable maximum number… | Sep 15 2016 | |||
| 429d56e3a380 | Axel Kohlmeyer | corrections to the fix bond/create docs | Sep 15 2016 | |||
| db1e17197fcf | Axel Kohlmeyer | Merge remote-tracking branch 'lammps-ro/master' into lammps-icms | Sep 15 2016 | |||
| 3b4412d782ef | Axel Kohlmeyer | Merge remote-tracking branch 'lammps-ro/master' into lammps-icms | Sep 14 2016 |