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Diffusion lammps (efficient_neuronet) Graph

lammps/src
efficient_neuronet

History Graph

CommitAuthorDetailsCommitted
576c6315c7f1stricker
corrected indices and typo in description 
May 4 2018
13bc8ff59733junge
final state cneuronet 
Oct 3 2017
4f65214374a5junge
starting to converge 
Nov 25 2016
54b3c132547ejunge
in debugging mat-vec acceleration 
Nov 24 2016
da035f544113junge
Functional and robust, but slow 
Nov 24 2016
f8f387e54aa4junge
report mostly done 
Nov 24 2016
7be4149876e5junge
report taking shape 
Nov 23 2016
dc8a7e4273f7junge
First time functional looking 
Nov 22 2016
c2e6ebe10955junge
Forces correct! just need to correct ghosts now 
Nov 22 2016
3c030b5fdba0junge
slightly messed up state 
Nov 21 2016
ba6bee2443eajunge
unfunctional forces 
Nov 18 2016
f9a4fb669e70junge
Energy computation correct, improved weigh_nei iterator 
Nov 18 2016
53ad0862fd34junge
theoretically feature complete, compiles, results wrong 
Nov 16 2016
c6c331704fc8junge
still not functional 
Nov 15 2016
49804d97059fjunge
still not functional 
Nov 13 2016
3526537eb83fjunge
intermediate and unfunctional 
Nov 13 2016
a96d5dcf7eedjunge
Fixed pointless re-allocations 
Nov 3 2016
e9c79e2ccc41junge
Fixed handling of periodic ghost atoms 
Nov 3 2016
54e59b9c658cjunge
Verified, yields identical results to pmd 
Oct 28 2016
b5ca9162c1f1junge
Runs without memory issues, not tested yet 
Oct 27 2016
b8881218030bjunge
All module variables are now class members 
Oct 26 2016
c40fdd35b65ajunge
restart read/write added 
Oct 26 2016
7a23f3894a40junge
Compiles, untested, no restart 
Oct 26 2016
8bdd57215fa3junge
Now links (except mpi) 
Oct 24 2016
dadf60427b97junge
unfunctional state 
Oct 24 2016
79922fb24136junge
Added files for Ryo's neural networks 
Oct 6 2016
e7e5ba4e4688Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Sep 23 2016
32cec47ffb36sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15631 f3b2605a-c512-4ea7… 
Sep 22 2016
fd2ac15c2eadAxel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Sep 22 2016
e6ac7757a374Axel Kohlmeyer
fix bug in fix_modify respa reported by steven early strong on lammps-users 
Sep 22 2016
32872a7b35f0sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15628 f3b2605a-c512-4ea7… 
Sep 22 2016
26e16ed9681dsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15625 f3b2605a-c512-4ea7… 
Sep 22 2016
72c5792230bfsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15615 f3b2605a-c512-4ea7… 
Sep 21 2016
71f7dde12acbsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15614 f3b2605a-c512-4ea7… 
Sep 21 2016
41b945d0514cAxel Kohlmeyer
restore bugfixes and updates that were lost. flag time dependet. correct use of… 
Sep 21 2016
6b3c505fbee3Axel Kohlmeyer
need to add removed fix ti/rs to purge list 
Sep 21 2016
d298283b5671Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Sep 21 2016
3eee5849565bsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15612 f3b2605a-c512-4ea7… 
Sep 20 2016
26b9b955a96fsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15611 f3b2605a-c512-4ea7… 
Sep 20 2016
f86bd1fcebcbsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15607 f3b2605a-c512-4ea7… 
Sep 20 2016
f1d3637b0387sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15605 f3b2605a-c512-4ea7… 
Sep 20 2016
f81f0da7341dsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15603 f3b2605a-c512-4ea7… 
Sep 20 2016
ed9f13663bacsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15602 f3b2605a-c512-4ea7… 
Sep 20 2016
558303072d04sjplimp
sync with GH 
Sep 20 2016
1dbd52a30cf7Axel Kohlmeyer
remove debug code 
Sep 20 2016
7cc79de530b8Axel Kohlmeyer
demote OMP_NUM_THREAD "warning" to "message" in the hope to be less confusing… 
Sep 20 2016
bc11518960b8Axel Kohlmeyer
fix argument indexing bug in fix ave/atom 
Sep 20 2016
34ccbd726601Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Sep 19 2016
900c83960e6fsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15595 f3b2605a-c512-4ea7… 
Sep 18 2016
6eca661e4a54Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Sep 17 2016
484122b8b610sjplimp
sync with GH 
Sep 16 2016
d66493ca13c8Axel Kohlmeyer
whitespace cleanup 
Sep 16 2016
21777f52604fAxel Kohlmeyer
permissions cleanup 
Sep 16 2016
0197738285aeAxel Kohlmeyer
Merge branch 'lammps-icms' of bitbucket.org:akohlmey/lammps-icms into lammps… 
Sep 16 2016
1ba7f726cce2Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Sep 16 2016
e14eab610e78sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15582 f3b2605a-c512-4ea7… 
Sep 15 2016
e30420fc464fAxel Kohlmeyer
make certain, that -log() doesn't overflow and assign a suitable maximum number… 
Sep 15 2016
2049fa738045sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15581 f3b2605a-c512-4ea7… 
Sep 15 2016
cf33c0e7fba4sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15580 f3b2605a-c512-4ea7… 
Sep 15 2016
db1e17197fcfAxel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Sep 15 2016
b23e9f0d548esjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15579 f3b2605a-c512-4ea7… 
Sep 14 2016
0f6d21acda7bsjplimp
sync with Git 
Sep 14 2016
3b4412d782efAxel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Sep 14 2016
b3fa20718f0csjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15572 f3b2605a-c512-4ea7… 
Sep 14 2016
babaa839b0c2sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15570 f3b2605a-c512-4ea7… 
Sep 14 2016
9f3118341a30sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15569 f3b2605a-c512-4ea7… 
Sep 13 2016
423052134b98sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15567 f3b2605a-c512-4ea7… 
Sep 13 2016
a2b4a794d9a2Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Sep 13 2016
d913f5e09409stamoor
Fixing Kokkos bugs 
Sep 12 2016
38356949ba42Efrem Braun
Moved test for ghost atom velocities to the ::init() method 
Sep 12 2016
7d70a5982721Efrem Braun
Only check for comm_modify vel yes if need be 
Sep 12 2016
f96ef7c45ec1Efrem Braun
Changed back stxcmp to strcmp 
Sep 12 2016
f99296e7488eEfrem Braun
Removed unused variable 
Sep 12 2016
780c13bc3ce7Efrem Braun
Made error message if not comm_modify vel yes 
Sep 12 2016
d3239a3bdc65Efrem Braun
Added comments for legibility purposes 
Sep 12 2016
dcc6a175c8a0Efrem Braun
Made calculation of bond kinetic energies simpler, and replaced calculation of… 
Sep 12 2016
fe49cbe4cc1fAxel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Sep 11 2016
a8d7ca367de4sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15564 f3b2605a-c512-4ea7… 
Sep 10 2016
2b53f8039216Axel Kohlmeyer
require an atom map for compute voronoi/atom occupation 
Sep 9 2016
ed7d2d42252fAxel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Sep 9 2016
ad2ccf6f2725Axel Kohlmeyer
implement vashishta/table/omp in USER-OMP 
Sep 8 2016
d2a02eaa56b7Axel Kohlmeyer
ignore all variants of the vashishta pair styles in src/ 
Sep 8 2016
a46098c89982Steve Plimpton/Axel Kohlmeyer
undo changes to vashishita/omp 
Sep 8 2016
4353fe8d91ceAxel Kohlmeyer
created vashishta/table variant 
Sep 8 2016
1dd7a13d8233sjplimp
sync with GH 
Sep 8 2016
b190abea390esjplimp
sync with GH 
Sep 8 2016
39338865845aAxel Kohlmeyer
delete duplicate fclose() in fix ttm/mod constructor 
Sep 8 2016
f8e659f44be7Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Sep 8 2016
06b7d56e168fsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15560 f3b2605a-c512-4ea7… 
Sep 7 2016
ee4a1f0452cesjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15559 f3b2605a-c512-4ea7… 
Sep 7 2016
d3694613fd91sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15558 f3b2605a-c512-4ea7… 
Sep 7 2016
b0940dec80b5Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Sep 7 2016
ea9bcda82ebfAxel Kohlmeyer
revert changes to group.cpp and compute_omega_chunk.cpp to accommodate changes… 
Sep 7 2016
bf0c18a0f238sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15557 f3b2605a-c512-4ea7… 
Sep 7 2016
f67a9722eaf7sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15554 f3b2605a-c512-4ea7… 
Sep 7 2016
83f139642eb6stamoor
Reverting optimizations that hurt performance on some compilers 
Sep 7 2016
74d0bc4df6f6sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15548 f3b2605a-c512-4ea7… 
Sep 7 2016
56945a56aabesjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15547 f3b2605a-c512-4ea7… 
Sep 6 2016
9625b99ba7a0Axel Kohlmeyer
Merge branch 'lammps-icms' of https://github.com/efremdan1/lammps into merge… 
Sep 6 2016
1ce11d2227f0Efrem Braun
Made documentation and code of last commit more legible 
Sep 6 2016
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