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Diffusion lammps (efficient_neuronet) Graph

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efficient_neuronet

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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
06c4402e598bjunge
Confirmed correct behaviour in two-atom system 
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
8ae62e8d043bjunge
added cneuronet test 
Nov 16 2016
c6c331704fc8junge
still not functional 
Nov 15 2016
49804d97059fjunge
still not functional 
Nov 13 2016
3526537eb83fjunge
intermediate and unfunctional 
Nov 13 2016
775e8f3cc8f5junge
mostly tested, ready to go main 
Nov 7 2016
a96d5dcf7eedjunge
Fixed pointless re-allocations 
Nov 3 2016
e9c79e2ccc41junge
Fixed handling of periodic ghost atoms 
Nov 3 2016
f5a9a0b3a196junge
Added reference output, to be checked after modifs 
Oct 28 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
2f9df80ebe0djunge
Merge branch 'master' into lammm-master 
Oct 23 2016
d598c275dba1junge
cleanup 
Oct 23 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
31e41707e0f9sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15632 f3b2605a-c512-4ea7… 
Sep 22 2016
32cec47ffb36sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15631 f3b2605a-c512-4ea7… 
Sep 22 2016
c22df8db570dsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15630 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
d0bbf3fb9785sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15629 f3b2605a-c512-4ea7… 
Sep 22 2016
32872a7b35f0sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15628 f3b2605a-c512-4ea7… 
Sep 22 2016
6dd4480482cfsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15626 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
ca5ad04b019dsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15624 f3b2605a-c512-4ea7… 
Sep 22 2016
0329aaaf7228sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15623 f3b2605a-c512-4ea7… 
Sep 22 2016
fc434b36b308sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15622 f3b2605a-c512-4ea7… 
Sep 21 2016
a1364adce1bbsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15621 f3b2605a-c512-4ea7… 
Sep 21 2016
c382759406cdsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15620 f3b2605a-c512-4ea7… 
Sep 21 2016
e7fb82a645bcsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15619 f3b2605a-c512-4ea7… 
Sep 21 2016
03c5ce601babsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15618 f3b2605a-c512-4ea7… 
Sep 21 2016
d7c6f57fe4d8sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15617 f3b2605a-c512-4ea7… 
Sep 21 2016
0bcd90195d55sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15616 f3b2605a-c512-4ea7… 
Sep 21 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
f8c8434c44d4sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15613 f3b2605a-c512-4ea7… 
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
fe73c3e4e31bsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15610 f3b2605a-c512-4ea7… 
Sep 20 2016
8944d48bd117sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15608 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
ce3676677ef2sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15604 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
4f941abdfd2asjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15601 f3b2605a-c512-4ea7… 
Sep 20 2016
af4a42345fccsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15600 f3b2605a-c512-4ea7… 
Sep 20 2016
df0ed58bbdccsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15599 f3b2605a-c512-4ea7… 
Sep 20 2016
8b80d0cf9a8fsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15598 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
ed532358ad99sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15591 f3b2605a-c512-4ea7… 
Sep 16 2016
5336ec07357csjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15590 f3b2605a-c512-4ea7… 
Sep 16 2016
7d77aea42d30sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15589 f3b2605a-c512-4ea7… 
Sep 16 2016
6fd60f50ad7dsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15588 f3b2605a-c512-4ea7… 
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
54b2f3c970d6sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15583 f3b2605a-c512-4ea7… 
Sep 15 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
429d56e3a380Axel Kohlmeyer
corrections to the fix bond/create docs 
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
b29782d5ab51sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15577 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
206f4e18a64esjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15573 f3b2605a-c512-4ea7… 
Sep 14 2016
b3fa20718f0csjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15572 f3b2605a-c512-4ea7… 
Sep 14 2016
9d0e85392555sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15571 f3b2605a-c512-4ea7… 
Sep 14 2016
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