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Diffusion lammps (efficient_neuronet) Graph

lammps/src
efficient_neuronet

History Graph

CommitAuthorDetailsCommitted
7bf1d9b40fe1sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15489 f3b2605a-c512-4ea7… 
Aug 24 2016
bddb31ea43d0Axel Kohlmeyer
various small cleanup steps to dynamic type selection for… 
Aug 23 2016
62eeed768bdeAxel Kohlmeyer
Merge branch 'fix_bond_create_update' of https://github.com/aminaramoon/lammps… 
Aug 23 2016
49597fa96025aaramoon
memory leak resolved 
Aug 23 2016
bd258d676807Axel Kohlmeyer
silence compiler warning 
Aug 23 2016
9f1759481b3cAxel Kohlmeyer
correct include files format and add missing string.h 
Aug 23 2016
d08e79702603Axel Kohlmeyer
Merge branch 'add-fix-gaussFlow' of https://github.com/sstrong99/lammps into… 
Aug 23 2016
6c927a419da4Steven Strong
revised fix_flow_gauss 
Aug 23 2016
690158939564Steven Strong
revised fix_flow_gauss 
Aug 23 2016
d007faca515fstamoor
Fixing Kokkos output for number of OpenMP threads 
Aug 23 2016
89fc866ba7a4stamoor
Fixing bug on Macs 
Aug 23 2016
06996d7782d9Steven Strong
revised fix_flow_gauss 
Aug 23 2016
2e7404c96c42Steven Strong
revised fix_flow_gauss 
Aug 23 2016
3309e9d3baf9Steven Strong
revised fix_flow_gauss 
Aug 23 2016
a2e882daa290aaramoon
enum added in type detector 
Aug 23 2016
d1ba974fa8eeaaramoon
correction made 
Aug 23 2016
29ae1bbca86aAxel Kohlmeyer
minor cleanup and compiler warning silencing 
Aug 23 2016
bbf1dcd9db24Axel Kohlmeyer
Merge branch 'initialize_pointers' of https://github.com/andeplane/lammps into… 
Aug 23 2016
95755ba8b2e9Steven Strong
Added fix_gaussflow 
Aug 22 2016
f83f88d736d7Axel Kohlmeyer
restore accidentally deleted error message. 
Aug 22 2016
68c4a8c2f1cfAnders Hafreager
Removed if tests in destructor. Also NULLing pointers in destructors 
Aug 22 2016
ae2bfec83d97Anders Hafreager
Initialize pointers to zero before anything else in fix_ave_chunk.cpp 
Aug 22 2016
97ffbb68fd89Anders Hafreager
Added curly brackets and spaces for better code readability 
Aug 22 2016
001c559a261bAnders Hafreager
Fixed so tabulated pair_vashishta uses same pair_modify command style as other… 
Aug 22 2016
45a2dd36d0f0Axel Kohlmeyer
correct bug in tracking atom->nlocal vs. atom->nmax when allocating pbc… 
Aug 21 2016
a50793687861Axel Kohlmeyer
fix bug in recent dump changes for -DLAMMPS_BIGBIG 
Aug 21 2016
2dd61ffedae2Axel Kohlmeyer
Merge branch 'valgrind_errors' of https://github.com/rbberger/lammps into merge… 
Aug 21 2016
ebbed707c6cfAxel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Aug 21 2016
d4891754c862sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15483 f3b2605a-c512-4ea7… 
Aug 21 2016
6ccf4b452592sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15481 f3b2605a-c512-4ea7… 
Aug 21 2016
bfba361f65f2sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15480 f3b2605a-c512-4ea7… 
Aug 21 2016
180776e4f702aaramoon
fix_bond_create_updated 
Aug 17 2016
579c52771813Axel Kohlmeyer
fix indexing bugs in accessing compute and fix labels in fix ave/histo 
Aug 17 2016
a27c2759b488Anders Hafreager
Remembering to clean up memory with new arrays in vashishta. 
Aug 17 2016
233a1c3e84a3Anders Hafreager
Added 3-body neighbor list building for faster short range 3 body forces. 
Aug 17 2016
08228bd62d12Anders Hafreager
Added tabulated version of vashishta potential 
Aug 17 2016
c998f7b81fb7Richard Berger
Remove memory leak and unnecessary allocation 
Aug 16 2016
054256cf0a85Richard Berger
Add missing initialization 
Aug 16 2016
27d36f3f145bAxel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Aug 14 2016
ac6f4f8a5672Axel Kohlmeyer
correct small (but harmless) logic error. 
Aug 13 2016
650359087584sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15474 f3b2605a-c512-4ea7… 
Aug 13 2016
2c9eef57d06asjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15473 f3b2605a-c512-4ea7… 
Aug 13 2016
eba3ad9abb37Axel Kohlmeyer
update colvars to version 2016-08-10 
Aug 13 2016
e338a2f38619Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Aug 13 2016
60bf26bad9c6Axel Kohlmeyer
silence warnings about cases, that cannot happen 
Aug 13 2016
63b41cb1390aAxel Kohlmeyer
fix bug found by coverity scan 
Aug 13 2016
ff933712b73fsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15470 f3b2605a-c512-4ea7… 
Aug 12 2016
bc7c97b88231Axel Kohlmeyer
remove duplicated statement 
Aug 11 2016
c6ef337b2eb0Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Aug 11 2016
2b052c2a9c8eAxel Kohlmeyer
improve the weight assignment algorithm for compute time based balancing 
Aug 11 2016
639ea6c39647sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15468 f3b2605a-c512-4ea7… 
Aug 10 2016
aef16fed2a27Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Aug 10 2016
de2b6cf6bde1sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15465 f3b2605a-c512-4ea7… 
Aug 9 2016
8d2fc6b14f39Axel Kohlmeyer
perform stage 2 of python2/3 compatibility conversion with futurize 
Aug 9 2016
2495bee1d8b4Axel Kohlmeyer
process with futurize -1 to increase its portability. 
Aug 9 2016
ad652c9b82b0Axel Kohlmeyer
port changes to lj/sf/dipole/sf to lj/sf/dipole/sf/omp 
Aug 9 2016
0369d79c398aAxel Kohlmeyer
change pair_coeff syntax for lj/sf/dipole/sf to be backward compatible and… 
Aug 9 2016
6c8d3ed4e849sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15463 f3b2605a-c512-4ea7… 
Aug 9 2016
ae691ab7865bAxel Kohlmeyer
import updated pair lj/sf/dipole/sf files from sam genheden 
Aug 9 2016
96e415ad8af4Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Aug 9 2016
550be1d5129esjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15462 f3b2605a-c512-4ea7… 
Aug 8 2016
056ff192c619sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15459 f3b2605a-c512-4ea7… 
Aug 8 2016
93554fac5e3eAxel Kohlmeyer
plug small memory leak 
Aug 7 2016
797c6dc2dd27Axel Kohlmeyer
remove upper limit for weigh factor on neighbor list and time weights 
Aug 7 2016
5405622f3bdaAxel Kohlmeyer
add new imbalance module store, which allows to store weights in an atom… 
Aug 7 2016
280aef55d2b7Axel Kohlmeyer
convert from using fix property/atom to using fix store 
Aug 7 2016
b3bd35c7beefAxel Kohlmeyer
whitespace cleanup 
Aug 7 2016
fcba14a0aa97Axel Kohlmeyer
properly handle the case of neighbor lists never been computed before 
Aug 6 2016
c00aa3c600c0Axel Kohlmeyer
plug small memory leak 
Aug 6 2016
529417f86c4dAxel Kohlmeyer
simplify and correct logic to pass weight to balancer algorithms 
Aug 6 2016
6a519e5eefb5Axel Kohlmeyer
correct string hanlding with building custom property label 
Aug 6 2016
4c26534245e2Axel Kohlmeyer
we cannot add a fix while creating a fix. move fix addintion to Fix::init() 
Aug 6 2016
1da862b44077Axel Kohlmeyer
rewrote balancing to use per-atom data stored via fix property/atom 
Aug 6 2016
4b3783d18c3dAxel Kohlmeyer
custom property names should be compatible with string literals 
Aug 6 2016
62443e27bc14Axel Kohlmeyer
Merge branch 'lammps-icms' into balance-refactor 
Aug 6 2016
78b47137ba70Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Aug 6 2016
decd072117f3sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15455 f3b2605a-c512-4ea7… 
Aug 5 2016
2d694f934e36sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15444 f3b2605a-c512-4ea7… 
Aug 5 2016
9a9897cd447fsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15436 f3b2605a-c512-4ea7… 
Aug 5 2016
290cbb9b9126Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Aug 5 2016
cd01e5855d2cAxel Kohlmeyer
Merge branch 'lammps-icms' into balance-refactor 
Aug 5 2016
0f2e7241900bAxel Kohlmeyer
create/use a ke compute instead of converting from temperature 
Aug 4 2016
a19ea3ee5e16Axel Kohlmeyer
remove unused variable 
Aug 4 2016
f4f8ce57a53eAxel Kohlmeyer
port changes to dump file formatting from upstream to COMPRESS package 
Aug 4 2016
73368211c536Axel Kohlmeyer
fix bug introduced by steve. 
Aug 4 2016
88062030752aAxel Kohlmeyer
Merge branch 'lammps-icms' of bitbucket.org:akohlmey/lammps-icms into lammps… 
Aug 4 2016
ca1050f5875bAxel Kohlmeyer
delete redundant code and add comment to avoid doing this in the future 
Aug 4 2016
0bffc1711e3esjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15435 f3b2605a-c512-4ea7… 
Aug 4 2016
2a90afe7e9a1Axel Kohlmeyer
fix optional argument scanning bug 
Aug 4 2016
f884bb2c92ecAxel Kohlmeyer
remove unused class member 
Aug 4 2016
71ef6fb4d95aAxel Kohlmeyer
incorporate refactored weighting into fix balance 
Aug 4 2016
ecbbdc2e7ff0Axel Kohlmeyer
convert weight array from class member to local pointer to temporary storage 
Aug 4 2016
ad0633f7c142Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Aug 4 2016
d40de42af861Axel Kohlmeyer
proof-of-concept implementation for neighbor list based balancing with yet… 
Aug 4 2016
3f674e5062aaAxel Kohlmeyer
re-factored balance command now works with group and time weights 
Aug 4 2016
a93e6e83ed58sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15431 f3b2605a-c512-4ea7… 
Aug 3 2016
1f6518400e83sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15429 f3b2605a-c512-4ea7… 
Aug 3 2016
8ff0085cba09Axel Kohlmeyer
complete implementation for group based imbalance class 
Aug 3 2016
be6c086cb4c1sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15428 f3b2605a-c512-4ea7… 
Aug 3 2016
b3664c217b1eAxel Kohlmeyer
port code from serial implementation to /omp version 
Aug 3 2016
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