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Diffusion lammps (efficient_neuronet) Graph

lammps/src
efficient_neuronet

History Graph

CommitAuthorDetailsCommitted
247e55937a78Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Apr 8 2016
dd562698ef4dsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14816 f3b2605a-c512-4ea7… 
Apr 8 2016
9aa7608bd0d7sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14814 f3b2605a-c512-4ea7… 
Apr 8 2016
9c1857fa6297sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14813 f3b2605a-c512-4ea7… 
Apr 8 2016
13c554900998sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14809 f3b2605a-c512-4ea7… 
Apr 7 2016
1e180da83007sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14806 f3b2605a-c512-4ea7… 
Apr 7 2016
8e36364f5ceasjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14805 f3b2605a-c512-4ea7… 
Apr 7 2016
83c805402124Axel Kohlmeyer
fix segfault when using per chunk computes on systems without local atoms 
Apr 7 2016
449dad90b341Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Apr 7 2016
65f40aa34d14stamoor
Kokkos enhancements 
Apr 7 2016
4eb5e0825e2eAxel Kohlmeyer
correct include files to not include unneeded or non-existing files 
Apr 5 2016
8f714cced23cAxel Kohlmeyer
Merge branch 'fix-manifold-factory' of https://github.com/Pakketeretet2/lammps… 
Apr 5 2016
3bbf2592a472Stefan Paquay
Added documentation for spine_two 
Apr 5 2016
63d4ddb9f8e3Stefan Paquay
added manifold_spine_two to manifold_factory 
Apr 5 2016
91c712ec451aAxel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Apr 5 2016
5a3f2e93a050Axel Kohlmeyer
Merge branch 'merge-pull-46' into lammps-icms 
Apr 5 2016
48f9dd832cceAxel Kohlmeyer
add contibutor attribution to .cpp file for morse/soft 
Apr 5 2016
e138d23016eeAxel Kohlmeyer
remove unused variables 
Apr 5 2016
9137610a4fd7Axel Kohlmeyer
some cleanup and added credits to README for USER-FEP contribution 
Apr 5 2016
a6df142b8e9bAxel Kohlmeyer
Merge branch 'add-morse-soft' of https://github.com/Pakketeretet2/lammps into… 
Apr 5 2016
83796feb888estamoor
Fixing bug in fix efield 
Apr 5 2016
6ad21affd539Stefan Paquay
forgot modification of Install-script. 
Apr 4 2016
4976543b1955Stefan Paquay
Added softcore pair_morse 
Apr 4 2016
21baa459b9bdAxel Kohlmeyer
apply correct bugfix from aidan 
Apr 4 2016
5ebf01ec79caathomps
fixed bug in triclinic case 
Apr 4 2016
25992ae9f7c4athomps
fixed bug in triclinic case 
Apr 4 2016
cc10fa32c50cAxel Kohlmeyer
reintroduce steve p style whitespace around comments 
Apr 4 2016
9a4b91992bc5Axel Kohlmeyer
Merge branch 'master' of https://github.com/stephanmg/lammps into merge-pull-45 
Apr 4 2016
c3da5dc396faAxel Kohlmeyer
whitespace cleanup 
Apr 4 2016
63612f33acd1stephanmg
Formatting. 
Apr 4 2016
f0234946229cstephanmg
Check for errors (flag is set) in lammps_gather_atoms and lammps_scatter_atoms… 
Apr 4 2016
a926707df5c7Axel Kohlmeyer
Merge branch 'add-manifold-spine-two' of https://github. 
Apr 4 2016
bf4c83ab7243Axel Kohlmeyer
guess based attempt to resolve problems with compute voronoi/atom for triclinic… 
Apr 4 2016
7af88e705a6aAxel Kohlmeyer
consistently return from all MPI ranks, if system is not ready for… 
Apr 4 2016
d3d50998edd9Stefan Paquay
Done fixing manifold_spine_two 
Apr 4 2016
89cf1a54742eStefan Paquay
cleaned up code, replaced pow with powint. 
Apr 4 2016
141eb76933edStefan Paquay
Added option to set power for manifold_spine 
Apr 4 2016
a10dca72cd29Stefan Paquay
Added option to change power of manifold_spine. 
Apr 4 2016
30a15456dfc9Stefan Paquay
Added option to change power of manifold_spine. 
Apr 4 2016
8446210d73f9Stefan Paquay
removed some branches. 
Apr 4 2016
51ec2b85836bAxel Kohlmeyer
Merge branch 'lammps-icms' of bitbucket.org:akohlmey/lammps-icms into lammps… 
Mar 31 2016
7833f9649376Axel Kohlmeyer
add scaled error function complement for higher precision coul/long 
Mar 31 2016
cda6306b69e2Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Mar 30 2016
9fc32cb308d7Axel Kohlmeyer
enable more thermostat fixes for use with the temper command 
Mar 30 2016
aaa32cfd8b8bsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14799 f3b2605a-c512-4ea7… 
Mar 29 2016
d30475111b1fAxel Kohlmeyer
use correct initialization order in thyla_part class 
Mar 29 2016
763c95b08ff4Axel Kohlmeyer
improved logic checking for incomple potential files in EIM 
Mar 29 2016
b3d2b951f527Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Mar 29 2016
5fb8bad60e5dAxel Kohlmeyer
small updates to address issues flagged by coverity scan 
Mar 29 2016
d1dbbe86c496Axel Kohlmeyer
port test for inconsistent force from pair table to bond table 
Mar 28 2016
979c57bf1952Axel Kohlmeyer
add test for short file reads to pair table 
Mar 28 2016
921f77bcd905Axel Kohlmeyer
more improvements and bugfixes to bond_write 
Mar 28 2016
7f35acc57ad9Axel Kohlmeyer
approximate FP flags and adapt bond_write to match the quirks of Bond::single() 
Mar 28 2016
0c3875c602cfsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14794 f3b2605a-c512-4ea7… 
Mar 28 2016
b5591e451871sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14790 f3b2605a-c512-4ea7… 
Mar 28 2016
7cea607190b6sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14789 f3b2605a-c512-4ea7… 
Mar 28 2016
0dfaf71ffed4Axel Kohlmeyer
Merge branch 'trung-tersoff-update' into lammps-icms 
Mar 28 2016
d53bc8bb83dfAxel Kohlmeyer
assorted dead code removal 
Mar 28 2016
7910ec32971fAxel Kohlmeyer
update from trung with bugfixes for tersoff/sw and new tersoff/mod/gpu and… 
Mar 28 2016
349a6c50210dAxel Kohlmeyer
some more tweaking of the table inconsistency warnings output text 
Mar 26 2016
e2a42cf15cc4Axel Kohlmeyer
add additional sanity check to reading polymorphic potential file 
Mar 26 2016
92c812019a24Axel Kohlmeyer
reformat warning about inexact r values. 
Mar 25 2016
b096069daf3cAxel Kohlmeyer
add a bond_write command to write out a table for bond_style table 
Mar 25 2016
d436d96be3f2Axel Kohlmeyer
add check for incomplete data to bond_style table. guess r0, if not given 
Mar 25 2016
ddcafcf9f88dAxel Kohlmeyer
output dependencies only for accepted extensions, provide strdup() 
Mar 25 2016
4c7ef3678317Axel Kohlmeyer
make table inconsistency warnings more informative 
Mar 25 2016
929a50be8179Axel Kohlmeyer
we don't need this header 
Mar 25 2016
f91aefae50a1Axel Kohlmeyer
since we are more paranoid about accuracy of tables in pair table, we should… 
Mar 25 2016
e5ac5440a894Axel Kohlmeyer
since the group is ignored for fix ave/time, we can allow dynamic groups 
Mar 25 2016
ee0226226194Axel Kohlmeyer
remove pair style comb/omp when installing KOKKOS 
Mar 25 2016
bbe60d9a4d0aAxel Kohlmeyer
add test to pair style table to check for completeness of data 
Mar 25 2016
0ea702cb6a59Axel Kohlmeyer
correct string constant syntax error 
Mar 24 2016
210e9f6475efAxel Kohlmeyer
remove some dead code 
Mar 24 2016
0293603fc2e8Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Mar 23 2016
68d7102de76aAxel Kohlmeyer
detect if an outdated version of a polymorphic potential file is read 
Mar 22 2016
c57e61a51f02sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14780 f3b2605a-c512-4ea7… 
Mar 22 2016
c1c464d0335dsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14779 f3b2605a-c512-4ea7… 
Mar 22 2016
4dec943a5e0esjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14777 f3b2605a-c512-4ea7… 
Mar 22 2016
40a438575d6fsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14776 f3b2605a-c512-4ea7… 
Mar 22 2016
8f3d0f743e69sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14773 f3b2605a-c512-4ea7… 
Mar 22 2016
89e3f5b5a2c4sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14772 f3b2605a-c512-4ea7… 
Mar 22 2016
5f6a4fb5d8basjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14771 f3b2605a-c512-4ea7… 
Mar 22 2016
89e9c83272d6Axel Kohlmeyer
remove dead code 
Mar 22 2016
6fa71fe66d5aAxel Kohlmeyer
need to purge USER-INTEL specific verlet integrator variants 
Mar 22 2016
8c56f954bc96Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Mar 22 2016
ed3ced9c135bAxel Kohlmeyer
correct NULL pointer dereference in parallel runs 
Mar 22 2016
ba5694c23d3cAxel Kohlmeyer
don't need to check atom->x for being NULL 
Mar 22 2016
855bec24e1e0Axel Kohlmeyer
avoid memory overrun in dump h5md 
Mar 22 2016
88ac0c3fe3bdAxel Kohlmeyer
remove unneeded class member 
Mar 22 2016
4b58079a0822Axel Kohlmeyer
fix typo 
Mar 22 2016
eda01bfd1aabsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14768 f3b2605a-c512-4ea7… 
Mar 22 2016
86fc7d455cacsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14767 f3b2605a-c512-4ea7… 
Mar 22 2016
009f3564e0e0sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14766 f3b2605a-c512-4ea7… 
Mar 22 2016
b50f71cd96d6sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14765 f3b2605a-c512-4ea7… 
Mar 22 2016
a3ad5b65d3a6sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14760 f3b2605a-c512-4ea7… 
Mar 21 2016
36776f425b93sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14756 f3b2605a-c512-4ea7… 
Mar 21 2016
784d8cc2f8a0sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14755 f3b2605a-c512-4ea7… 
Mar 21 2016
6e3ea06b1173stamoor
Allowing read_restart to use suffix style with pair style, etc 
Mar 21 2016
1901b7b33e3bstamoor
Allowing read_restart to use suffix style with avec 
Mar 21 2016
2c3e0b69a09bAxel Kohlmeyer
correct voro++ URL in another location 
Mar 21 2016
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