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Diffusion lammps (efficient_neuronet) Graph

lammps/src
efficient_neuronet

History Graph

CommitAuthorDetailsCommitted
64281d011d5dAxel Kohlmeyer
make fix reax/c/species compatible with rerun 
Mar 20 2016
c36bd07ff84dAxel Kohlmeyer
avoid uninitialized stack variables 
Mar 20 2016
8bde01547443Axel Kohlmeyer
plug two memory leaks in USER-REAXC 
Mar 20 2016
30d1e018e1abAxel Kohlmeyer
fix cut-n-paste issue in fix pour 
Mar 20 2016
a594a1d6702bAxel Kohlmeyer
fix bug in fix pour due to bad comparison for floating point numbers 
Mar 20 2016
56372120b65bAxel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Mar 19 2016
042f50ac9c28stamoor
Christian's kokkos patch that allows concurrent host and device threading 
Mar 18 2016
87df1f2fe079Axel Kohlmeyer
Merge branch 'lammps-icms' of bitbucket.org:akohlmey/lammps-icms into lammps… 
Mar 18 2016
4cc482fd9bc6Axel Kohlmeyer
bugfix from lammps-users for processors command 
Mar 18 2016
233f1eb3b1afAxel Kohlmeyer
simplify makefiles with fastdep enabled 
Mar 17 2016
bf3e84ae7e8bAxel Kohlmeyer
make .gitignore properly only ignore local copies of package files 
Mar 17 2016
e80137ece738Axel Kohlmeyer
more updates to .gitignore 
Mar 16 2016
0152ea9ad041Axel Kohlmeyer
we should use 64-bit memalign by default to be compatible with USER-INTEL 
Mar 16 2016
e9f21ef19056Axel Kohlmeyer
forgot to allocate result vector 
Mar 16 2016
f659311ab90bAxel Kohlmeyer
added a compute pe/mol/tally tallying evdwl/ecoul for inter/intra molecular… 
Mar 16 2016
d4f56129049cAxel Kohlmeyer
pair style rebo/morse makes no sense. removed. 
Mar 15 2016
906ebc261e71Axel Kohlmeyer
Integrate AIREBO-M by merging it into regular AIREBO and building wrapper… 
Mar 15 2016
1a9f4dbcef0bAxel Kohlmeyer
prepare for merging in AIREBO-M code 
Mar 15 2016
21163ae28b36Axel Kohlmeyer
it is bad practice to overwrite members from other classes, and not needed here… 
Mar 15 2016
c874ec86dfc6Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Mar 15 2016
5d2a0214fa3cAxel Kohlmeyer
remove debug printf()s. 
Mar 15 2016
a59445d4b78dsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14749 f3b2605a-c512-4ea7… 
Mar 14 2016
61c0608ffa7esjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14745 f3b2605a-c512-4ea7… 
Mar 14 2016
16b9206d9897sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14744 f3b2605a-c512-4ea7… 
Mar 14 2016
e02c66b932dbsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14740 f3b2605a-c512-4ea7… 
Mar 14 2016
ef01d1b84078Axel Kohlmeyer
correctly identify rigid and rigid/small derived fixes in compute */rigid 
Mar 13 2016
b154a21d50d6Axel Kohlmeyer
add a compute bond that allows accessing per sub-style bond energies. 
Mar 13 2016
ca56f521f43cAxel Kohlmeyer
adapt attribution to usual LAMMPS style 
Mar 11 2016
c80fb4b8ea06Axel Kohlmeyer
Merge branch 'pair-morse-smooth-linear-omp' of https://github. 
Mar 11 2016
b6355a077241Stefan Paquay
Done making changes. 
Mar 11 2016
e58b10fa8121Axel Kohlmeyer
fix bug in lj/charmm/coul/charmm reported on lammps-users 
Mar 11 2016
b0ffa46a3bb9Axel Kohlmeyer
adapt personal makefiles to the new location of fastdep 
Mar 11 2016
1cf0e40793dbAxel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Mar 11 2016
dd738827fab3Axel Kohlmeyer
fix parallel deadlock bug in dvd and xtc dumps with > 2^31 timesteps reported… 
Mar 11 2016
7c9022e3d5c4sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14737 f3b2605a-c512-4ea7… 
Mar 10 2016
f5ceb5b292fdsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14736 f3b2605a-c512-4ea7… 
Mar 10 2016
109b9bab2811sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14735 f3b2605a-c512-4ea7… 
Mar 10 2016
f620bcc4f97fsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14734 f3b2605a-c512-4ea7… 
Mar 10 2016
b92e2cc67737Axel Kohlmeyer
Merge branch 'lammps-icms' of bitbucket.org:akohlmey/lammps-icms into lammps… 
Mar 10 2016
169a02118da8Axel Kohlmeyer
simplify .gitignore for packages with suffixes. 
Mar 10 2016
24723b2e1c5fAxel Kohlmeyer
cleaner form of handling nlocal=0 when checking for NaN coordinates 
Mar 9 2016
128f28b2cc1bAxel Kohlmeyer
add support for CUDA_DIR 
Mar 9 2016
978d5786ce4cAxel Kohlmeyer
Merge branch 'merge-pull-35' into lammps-icms 
Mar 8 2016
2762a07efdb4Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Mar 8 2016
c0289662f525Axel Kohlmeyer
adapt fastdep compatible makefiles to new version 
Mar 8 2016
ee1805538c77sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14726 f3b2605a-c512-4ea7… 
Mar 7 2016
f4ac444db294sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14725 f3b2605a-c512-4ea7… 
Mar 7 2016
98633cfa6ac2Axel Kohlmeyer
one more makefile to be converted to fastdep for use with rpm builds 
Mar 6 2016
8b57a67a35e5Axel Kohlmeyer
convert more makefiles to using fastdep. some cleanups. 
Mar 6 2016
a3989db1f4dcAxel Kohlmeyer
enable using fastdep 
Mar 6 2016
116403443ad2Axel Kohlmeyer
remove customization no longer needed when using fastdep 
Mar 6 2016
749ac0560f7eAxel Kohlmeyer
use the new fastdep tool for dependencies 
Mar 6 2016
581aec69a74fAxel Kohlmeyer
Merge branch 'lammps-icms' into merge-pull-35 
Mar 5 2016
631c124828cdAxel Kohlmeyer
make logic of code more obvious 
Mar 5 2016
518e082bfdfcAxel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Mar 5 2016
d6a67c284913stamoor
Fixing Kokkos bugs 
Mar 4 2016
8574d6ae5117Axel Kohlmeyer
no Install.sh file needed for a regular package with no dependencies 
Mar 3 2016
8bce407ab5e2Axel Kohlmeyer
whitespace cleanup 
Mar 3 2016
c144dd976586Axel Kohlmeyer
dead code removal and include file/header cleanup 
Mar 3 2016
f0e316fa243cStefan Paquay
Forgot to add manifold_factory.cpp 
Mar 3 2016
030f98e98a2aStefan Paquay
Changed some things. 
Mar 3 2016
f0b20ceda136Stefan Paquay
Removed dzugatov-related files from wrong branch. 
Mar 3 2016
69cf7b96ff72Stefan Paquay
Merge branch 'add-user-manifold' of github.com:Pakketeretet2/lammps into add… 
Mar 3 2016
0d630f16753fStefan Paquay
Merge branch 'lammps-icms' of https://github.com/lammps/lammps into add-user… 
Mar 3 2016
66373d4d4e83Stefan Paquay
started working on pair_dzugatov files 
Mar 3 2016
739825134d1dStefan Paquay
removed some unnecessary files before merge. 
Mar 3 2016
889fda57feeaStefan Paquay
Added user-manifold package. 
Mar 3 2016
bc900935fdafAxel Kohlmeyer
Merge branch 'merge-pull-33' into lammps-icms 
Mar 2 2016
ffd213d9fd8dAxel Kohlmeyer
Merge branch 'master' of https://github.com/crtrott/lammps into merge-pull-33 
Mar 2 2016
6e327ee1b361Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Mar 2 2016
9807c6fb5a4bcrtrott
Kokkos: fix missing namespace start in LJ2 class2 pair styles 
Mar 2 2016
ca39c079865ecrtrott
Kokkos: fix verlet_kokkos if no pair style is used 
Mar 2 2016
19d769ac45f9sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14716 f3b2605a-c512-4ea7… 
Mar 1 2016
ef273d309551sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14715 f3b2605a-c512-4ea7… 
Mar 1 2016
b01892757ad1crtrott
Merge remote-tracking branch 'main/master' 
Mar 1 2016
1145d82222c4sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14710 f3b2605a-c512-4ea7… 
Mar 1 2016
45d25c6154f6sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14705 f3b2605a-c512-4ea7… 
Mar 1 2016
a3b0234a6a1bsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14704 f3b2605a-c512-4ea7… 
Mar 1 2016
6e2893c76858sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14702 f3b2605a-c512-4ea7… 
Mar 1 2016
ee19043605a9sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14699 f3b2605a-c512-4ea7… 
Mar 1 2016
0bf65758e844sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14698 f3b2605a-c512-4ea7… 
Mar 1 2016
35c29a061041crtrott
Kokkos: make lammps instantiate a kokkos atom_vec style if kokkos on 
Mar 1 2016
29de3e2403becrtrott
Kokkos: improper_harmonic: make reallocation check size first 
Mar 1 2016
e3fa5bfd4f87crtrott
KOKKOS: fixing an issue in atom_vect styles with missing modify statements 
Mar 1 2016
7642bc177506sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14697 f3b2605a-c512-4ea7… 
Mar 1 2016
5ee04e33b1d5Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Mar 1 2016
d1a65e5f6a68sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14696 f3b2605a-c512-4ea7… 
Mar 1 2016
23ab6d4c0c48sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14695 f3b2605a-c512-4ea7… 
Mar 1 2016
bb0e8a114faesjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14694 f3b2605a-c512-4ea7… 
Mar 1 2016
ceb9f09e29d3crtrott
Kokkos: fix some bonded interactions to work with /kk/host 
Mar 1 2016
b2e792d6ac80athomps
fixed problem with exclusion 
Feb 29 2016
855e8ec7017fsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14692 f3b2605a-c512-4ea7… 
Feb 29 2016
f37a13e6b0f9Axel Kohlmeyer
need to manually touch neighbor.cpp for packages providing custom neighbor… 
Feb 29 2016
dd11c888af34Axel Kohlmeyer
remove redundant entry 
Feb 29 2016
d6cfa07d3a96Axel Kohlmeyer
update .gitignore for new packages and styles 
Feb 28 2016
0568dd760f40Axel Kohlmeyer
update machine g++ for new dependency generation 
Feb 28 2016
9f8d3e998851Axel Kohlmeyer
properly support mode SUMSQ and AVESQ in compute reduce/region 
Feb 28 2016
794cc332ac4aAxel Kohlmeyer
correct bug in compute reduce/region reported by "maksim" on lammps-users 
Feb 28 2016
ebd41bc07fc2Axel Kohlmeyer
merge colvars updates as of feb 28th 
Feb 28 2016
56517813968dAxel Kohlmeyer
convert machines "mpi" and "serial" to new dependency handling 
Feb 28 2016
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