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Diffusion lammps (efficient_neuronet) Graph

lammps/src
efficient_neuronet

History Graph

CommitAuthorDetailsCommitted
955c7862472bAxel Kohlmeyer
correct typo 
Jul 22 2016
efa508d90521sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15345 f3b2605a-c512-4ea7… 
Jul 22 2016
3ceaf974f8e7sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15344 f3b2605a-c512-4ea7… 
Jul 22 2016
4473577ae00cAxel Kohlmeyer
guarantee initialization of local variables 
Jul 21 2016
7437674097c0Axel Kohlmeyer
silence compiler warnings for USER-DPD "rx" code 
Jul 21 2016
ebc59d582d18Axel Kohlmeyer
Merge branch 'includegroup_nlocal_bugfix' of https://github. 
Jul 20 2016
29c56f42254fAxel Kohlmeyer
address issues/bugs reported by coverity scan 
Jul 20 2016
2facd47e3706Tim Mattox
Fix latent half_bin_newton_ssa() bug: "includegroup && !binatomflag" 
Jul 20 2016
86d106600e78Axel Kohlmeyer
make sure class members used in tests are always initialized 
Jul 20 2016
b785f85c75bdAxel Kohlmeyer
silence unused variable warnings 
Jul 19 2016
93497b4cd535Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Jul 19 2016
b83f51fce5ffAxel Kohlmeyer
allow to specify a custom python interpreter with make PYTHON=<python… 
Jul 19 2016
64516e43146bsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15342 f3b2605a-c512-4ea7… 
Jul 19 2016
1e3b96c48650sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15341 f3b2605a-c512-4ea7… 
Jul 18 2016
6e2a74eaf974sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15340 f3b2605a-c512-4ea7… 
Jul 18 2016
5519b38bd9baAxel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Jul 17 2016
0ec028d9f26fsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15339 f3b2605a-c512-4ea7… 
Jul 17 2016
778ae37e6e53sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15338 f3b2605a-c512-4ea7… 
Jul 17 2016
1111c8ba93c9sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15337 f3b2605a-c512-4ea7… 
Jul 17 2016
a6f62209af65sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15336 f3b2605a-c512-4ea7… 
Jul 17 2016
89b839056c0esjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15335 f3b2605a-c512-4ea7… 
Jul 17 2016
596d6840a5ebsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15334 f3b2605a-c512-4ea7… 
Jul 17 2016
a5b6dbea786fsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15333 f3b2605a-c512-4ea7… 
Jul 16 2016
1c084bc4e517Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Jul 16 2016
4bf96ac144ecsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15330 f3b2605a-c512-4ea7… 
Jul 16 2016
ea3984356441sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15329 f3b2605a-c512-4ea7… 
Jul 16 2016
472fe29a8997sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15328 f3b2605a-c512-4ea7… 
Jul 16 2016
a2782baa64a7sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15324 f3b2605a-c512-4ea7… 
Jul 16 2016
2705ddcaab9csjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15323 f3b2605a-c512-4ea7… 
Jul 16 2016
8a4dc62d2c15sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15321 f3b2605a-c512-4ea7… 
Jul 16 2016
eb78022b5a1asjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15318 f3b2605a-c512-4ea7… 
Jul 16 2016
d32f1ea4c0dfsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15314 f3b2605a-c512-4ea7… 
Jul 15 2016
e85587d25ecaAxel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Jul 15 2016
85599812c491Axel Kohlmeyer
Merge branch 'pure_locals_plus_ndxAIR_ssa' of https://github. 
Jul 14 2016
fbf361e478ceTim Mattox
USER-DPD: Process each AIR in the SSA without scanning the NeighList. Sorts… 
Jul 14 2016
691cb955068bTim Mattox
Save build time since only non-pure locals can have ghost neighbors. 
Jul 14 2016
f17037c61079Tim Mattox
USER-DPD: Track pure locals as AIR #0, and non-pure locals as AIR #1 Non-pure… 
Jul 14 2016
b59911779f14Axel Kohlmeyer
adapt info output for easier parsing 
Jul 14 2016
d326e8a767d6sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15313 f3b2605a-c512-4ea7… 
Jul 14 2016
b399e2e496d4sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15312 f3b2605a-c512-4ea7… 
Jul 14 2016
7d2809dd09b5sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15311 f3b2605a-c512-4ea7… 
Jul 14 2016
4e76c2da5338sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15310 f3b2605a-c512-4ea7… 
Jul 14 2016
2f09c2755ae1sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15309 f3b2605a-c512-4ea7… 
Jul 14 2016
2f04cd2bc5d6Axel Kohlmeyer
add support for gaussian distributed particle insertion 
Jul 14 2016
ae2194afb0b5Axel Kohlmeyer
allow floating point numbers for compute_modify extra 
Jul 14 2016
cca89b7cb2ddAxel Kohlmeyer
make fix wall/gran/omp compile again 
Jul 14 2016
8213a5d6e8e5Axel Kohlmeyer
port changes to fix wall/gran to fix wall/gran/omp 
Jul 14 2016
5d0a755ef7a0Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Jul 14 2016
35bc617478edsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15306 f3b2605a-c512-4ea7… 
Jul 14 2016
53fbe4558aaeAxel Kohlmeyer
add proper bugfix for uninitialized data issue 
Jul 14 2016
4b186656067asjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15305 f3b2605a-c512-4ea7… 
Jul 14 2016
5881c6da6f6csjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15304 f3b2605a-c512-4ea7… 
Jul 14 2016
320a6214f511Axel Kohlmeyer
whitespace cleanup 
Jul 14 2016
f538bd5fc85aAxel Kohlmeyer
fix serious bug in molecule command, where flags were used uninitialized 
Jul 14 2016
c1fb6c967e3dsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15303 f3b2605a-c512-4ea7… 
Jul 14 2016
6367c3700bd4sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15302 f3b2605a-c512-4ea7… 
Jul 14 2016
6171c774aa49sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15301 f3b2605a-c512-4ea7… 
Jul 13 2016
71fe537ebcdfTim Mattox
USER-DPD: move SSA data structures from Neighbor class to NeighList class This… 
Jul 13 2016
92e5aae7bb0esjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15298 f3b2605a-c512-4ea7… 
Jul 13 2016
53ebd8cfeb5aAxel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Jul 13 2016
e3e7d0280d06sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15295 f3b2605a-c512-4ea7… 
Jul 13 2016
eec4d961c0c9sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15291 f3b2605a-c512-4ea7… 
Jul 13 2016
6ec2346ca0f0sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15290 f3b2605a-c512-4ea7… 
Jul 13 2016
c5aece5b435fsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15289 f3b2605a-c512-4ea7… 
Jul 13 2016
0ff512a6da4esjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15288 f3b2605a-c512-4ea7… 
Jul 13 2016
568c530bfe28sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15287 f3b2605a-c512-4ea7… 
Jul 13 2016
3f802d97c9a2sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15286 f3b2605a-c512-4ea7… 
Jul 13 2016
1df9db5091dasjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15285 f3b2605a-c512-4ea7… 
Jul 13 2016
c7e4cf7d332bAxel Kohlmeyer
Merge branch 'merge-qe-qmmm' into lammps-icms 
Jul 12 2016
bbb642bfb724Axel Kohlmeyer
more cleanup and bugifxes for fix qmmm. use proper indexing by atom tag. 
Jul 12 2016
69194a748d14Axel Kohlmeyer
fix bug in assigning covalent radii for qm/mm. cleanups. more message tags 
Jul 12 2016
bf9e82105508sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15284 f3b2605a-c512-4ea7… 
Jul 12 2016
9998d7f66dc8Axel Kohlmeyer
integrate dihedral style spherical provided by andrew jewett 
Jul 12 2016
dfbecf047fddsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15283 f3b2605a-c512-4ea7… 
Jul 12 2016
cd2fe6f99765Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Jul 12 2016
2812b100322bsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15282 f3b2605a-c512-4ea7… 
Jul 11 2016
c4529dc00a4dAxel Kohlmeyer
Merge branch 'lammps-icms' into merge-qe-qmmm 
Jul 10 2016
8363441a2804Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Jul 10 2016
4484686077fasjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15279 f3b2605a-c512-4ea7… 
Jul 9 2016
a33753ae6f46sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15278 f3b2605a-c512-4ea7… 
Jul 9 2016
80b6719d686fsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15277 f3b2605a-c512-4ea7… 
Jul 9 2016
ee6f9b96211asjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15276 f3b2605a-c512-4ea7… 
Jul 9 2016
28faf109808asjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15275 f3b2605a-c512-4ea7… 
Jul 9 2016
6bc507cd6aedsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15274 f3b2605a-c512-4ea7… 
Jul 9 2016
18b0426c99cesjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15273 f3b2605a-c512-4ea7… 
Jul 9 2016
10e059196cd1Axel Kohlmeyer
Merge branch 'lammps-icms' into merge-qe-qmmm 
Jul 8 2016
7b1ace6890c9Axel Kohlmeyer
significantly simplify and clean up EC support code in fix qmmm. reduce memory… 
Jul 8 2016
381c13020544Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Jul 8 2016
511c8f202148Axel Kohlmeyer
first pass of refactoring for fix qmmm. 
Jul 8 2016
f18138ccacddAxel Kohlmeyer
import code for fix qmmm as provided by carlo & co. 
Jul 8 2016
cdc9712261c2sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15270 f3b2605a-c512-4ea7… 
Jul 7 2016
3abac37ec9adAxel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Jul 7 2016
5284d2d7df33Axel Kohlmeyer
adjust shear history based /omp pair styles for support of newton pair on 
Jul 7 2016
526f95e05046sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15269 f3b2605a-c512-4ea7… 
Jul 7 2016
10c19a9530b5sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15266 f3b2605a-c512-4ea7… 
Jul 7 2016
060d566f7c0cAxel Kohlmeyer
remove some dead code 
Jul 6 2016
9da26677c5b8sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15265 f3b2605a-c512-4ea7… 
Jul 6 2016
85cb6786e09asjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15264 f3b2605a-c512-4ea7… 
Jul 6 2016
33ae48afa570sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15263 f3b2605a-c512-4ea7… 
Jul 6 2016
742ad5ac508dsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15260 f3b2605a-c512-4ea7… 
Jul 5 2016
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