lammps/libefficient_neuronet
lammps/lib
efficient_neuronet
History Graph
History Graph
Commit | Author | Details | Committed | |||
---|---|---|---|---|---|---|
e3824e933216 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12325 f3b2605a-c512-4ea7… | Aug 15 2014 | |||
e6c421f61d9e | Axel Kohlmeyer | update colvars makefiles | Aug 13 2014 | |||
5c41d0ef6283 | Axel Kohlmeyer | update colvars module from git repo. | Aug 13 2014 | |||
b5d89cd7689e | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12169 f3b2605a-c512-4ea7… | Jul 2 2014 | |||
29ae4bd8dc3d | Axel Kohlmeyer | Merge remote-tracking branch 'lammps-ro/master' into lammps-icms | Jul 1 2014 | |||
67ae64329e18 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12146 f3b2605a-c512-4ea7… | Jun 27 2014 | |||
e0d8c669c4bf | Axel Kohlmeyer | adjust code for different neighbor list handling to support intel ocl | Jun 24 2014 | |||
4d4647f48711 | Axel Kohlmeyer | import library part of trung's update to the GPU package with reinit support | Jun 24 2014 | |||
8dddba111213 | athomps | Pruned unnecessary libraries | Jun 20 2014 | |||
bcec3c56e45e | Axel Kohlmeyer | Merge branch 'patch_14_06_2014' into lammps-icms | Jun 15 2014 | |||
598be75009d2 | Axel Kohlmeyer | anticipate 14 June 2014 patch | Jun 15 2014 | |||
e88b2465e783 | Axel Kohlmeyer | various little updates and local changes | Jun 15 2014 | |||
2ec1442e977b | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12132 f3b2605a-c512-4ea7… | Jun 14 2014 | |||
b8f6904ce368 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12128 f3b2605a-c512-4ea7… | Jun 14 2014 | |||
fc07ea5d0f3c | Axel Kohlmeyer | detect and disallow using fix adapt with GPU pair styles. | Jun 13 2014 | |||
cbdad2a2b3d3 | Axel Kohlmeyer | Merge remote branch 'lammps-ro/master' into lammps-icms | Jun 4 2014 | |||
5593d42f32f3 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12063 f3b2605a-c512-4ea7… | Jun 3 2014 | |||
895ca766eeec | Axel Kohlmeyer | Merge remote branch 'lammps-ro/master' into lammps-kokkos | Jun 2 2014 | |||
4e3bc9d059a9 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12053 f3b2605a-c512-4ea7… | May 30 2014 | |||
3cfef7320853 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12041 f3b2605a-c512-4ea7… | May 30 2014 | |||
596099f730b3 | Axel Kohlmeyer | fix makefile settings variable name bug | May 15 2014 | |||
d17c0325d423 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11969 f3b2605a-c512-4ea7… | May 12 2014 | |||
8c9c0ffd5330 | Axel Kohlmeyer | step version of colvars library | May 8 2014 | |||
9dbddf920bdd | Axel Kohlmeyer | merge in latest changes from upstream colvars code | May 8 2014 | |||
b38cb2573ecb | Axel Kohlmeyer | update colvars library to produce no more warnings with g++ -Wall | May 8 2014 | |||
104376fcbafb | Axel Kohlmeyer | Merge remote-tracking branch 'lammps-ro/master' into lammps-icms | Apr 30 2014 | |||
99f44f64cc10 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11842 f3b2605a-c512-4ea7… | Apr 30 2014 | |||
e83e04c92d37 | Axel Kohlmeyer | update for GeForce TITAN GPU and CUDA RPM. | Apr 18 2014 | |||
287db2231ad2 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11821 f3b2605a-c512-4ea7… | Apr 18 2014 | |||
b928719b4872 | Axel Kohlmeyer | update voro++ library to version 0.4.7 from svn repo on 2014-04-17 | Apr 17 2014 | |||
5fcfc9f575fc | Axel Kohlmeyer | various little cleanups to silence compiler warnings | Apr 10 2014 | |||
018e4a29debe | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11724 f3b2605a-c512-4ea7… | Apr 7 2014 | |||
20bb47e06a1f | Axel Kohlmeyer | Merge remote branch 'lammps-ro/master' into lammps-icms | Apr 5 2014 | |||
e29324f4494b | Axel Kohlmeyer | Updated the QM/MM library readme file to contain more detailed explanations of… | Apr 5 2014 | |||
44b68e7651bd | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11715 f3b2605a-c512-4ea7… | Apr 4 2014 | |||
d94e1e1ac500 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11711 f3b2605a-c512-4ea7… | Apr 4 2014 | |||
ce7397773269 | Axel Kohlmeyer | some clarifications to QM/MM interface code | Apr 1 2014 | |||
f80390891928 | Axel Kohlmeyer | Merge remote-tracking branch 'lammps-ro/master' into lammps-icms | Mar 25 2014 | |||
374dd0901503 | rjones | remove code under development | Mar 24 2014 | |||
4920531bac28 | Axel Kohlmeyer | adjust accelerator code to the slightly different macros for neighborlist… | Mar 23 2014 | |||
a1c872ffb48e | pscrozi | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11667 f3b2605a-c512-4ea7… | Mar 21 2014 | |||
b50e2783313c | Axel Kohlmeyer | import missing file from trung | Mar 21 2014 | |||
0f7f4a1e43d1 | Axel Kohlmeyer | Merge remote branch 'lammps-ro/master' into lammps-icms | Mar 21 2014 | |||
8d9e3945dd74 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11661 f3b2605a-c512-4ea7… | Mar 20 2014 | |||
67afd6fb6813 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11660 f3b2605a-c512-4ea7… | Mar 20 2014 | |||
430aed042a86 | Axel Kohlmeyer | Merge remote-tracking branch 'lammps-ro/master' into lammps-icms | Mar 20 2014 | |||
68c5f66685b2 | jzimmer | Removing untested feature to fix bug affecting Windows builds | Mar 19 2014 | |||
b07a3929d3ac | Axel Kohlmeyer | select bitness for GPU library | Feb 17 2014 | |||
19e47c5264ec | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11448 f3b2605a-c512-4ea7… | Feb 1 2014 | |||
8a0787104756 | Axel Kohlmeyer | Merge remote-tracking branch 'lammps-ro/master' into lammps-icms | Jan 29 2014 | |||
64138f3433a2 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11363 f3b2605a-c512-4ea7… | Jan 29 2014 | |||
1e28f6b2185c | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11362 f3b2605a-c512-4ea7… | Jan 29 2014 | |||
39b159777882 | Axel Kohlmeyer | Merge remote-tracking branch 'lammps-ro/master' into lammps-icms | Jan 27 2014 | |||
28194a14eb82 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11335 f3b2605a-c512-4ea7… | Jan 26 2014 | |||
38ac0889296f | Axel Kohlmeyer | update for new desktop installation | Jan 17 2014 | |||
038e43c47b5d | Axel Kohlmeyer | make gpu library compile with mikes gpu library mods | Jan 17 2014 | |||
c9fb35679a58 | Axel Kohlmeyer | make code compile with the inofficial changes in place from mike brown's repo | Jan 15 2014 | |||
cdbf26c64b44 | Axel Kohlmeyer | Merge remote-tracking branch 'lammps-ro/master' into lammps-icms | Jan 14 2014 | |||
496746e338e9 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11231 f3b2605a-c512-4ea7… | Jan 13 2014 | |||
bbffbe06a229 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11230 f3b2605a-c512-4ea7… | Jan 13 2014 | |||
58c9dbe24f4a | Axel Kohlmeyer | yet another bugfix from trung to fix segfaults with gpu library | Jan 8 2014 | |||
58c693abb681 | Axel Kohlmeyer | update colvars code to git version as of 2013-12-16 | Dec 16 2013 | |||
98a0d63dc914 | Axel Kohlmeyer | improved bugfix for virial/energy tallying from trung | Dec 13 2013 | |||
b937b8979591 | Axel Kohlmeyer | include potential bugfix for gpu library from trung | Dec 12 2013 | |||
d07827a3bca5 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10899 f3b2605a-c512-4ea7… | Oct 30 2013 | |||
b544776e5794 | Axel Kohlmeyer | update colvars with .xyz support by jerome | Oct 24 2013 | |||
1075b8356b66 | Axel Kohlmeyer | add README file for qmmm lib. | Oct 11 2013 | |||
2c5dc25d0548 | Axel Kohlmeyer | update to ignore non-existing include files | Oct 11 2013 | |||
2f8acde01773 | Axel Kohlmeyer | remove unsupported files | Oct 11 2013 | |||
cddfed139657 | Axel Kohlmeyer | input file cleanup | Oct 11 2013 | |||
1f79cdb91370 | Axel Kohlmeyer | include EXTRAMAKE definition | Oct 11 2013 | |||
e3d406a7d6b8 | Axel Kohlmeyer | integrate QM/MM toplevel code into the distribution | Oct 11 2013 | |||
494f11d42a07 | Axel Kohlmeyer | import QM/MM example input for mechanical coupling | Oct 11 2013 | |||
0aad8f682d46 | Axel Kohlmeyer | fix bug in parser for verbose flag | Oct 11 2013 | |||
5373ea31f114 | Axel Kohlmeyer | add verbose flag | Oct 10 2013 | |||
c787e982704f | Axel Kohlmeyer | include output of working directories and properly export the write API | Oct 10 2013 | |||
4d8913a6f7ac | Axel Kohlmeyer | add API for writing out the configuration and handle overwriting flags cleanly | Oct 10 2013 | |||
c1b6c3528a6d | Axel Kohlmeyer | add comments to qm/mm library | Oct 6 2013 | |||
1612350f57f3 | Axel Kohlmeyer | Merge branch 'lammps-icms' into qmmm-qe | Oct 6 2013 | |||
cb73fe5a753c | Axel Kohlmeyer | removed unreleased files | Oct 6 2013 | |||
97947276ac44 | Axel Kohlmeyer | geryon bugfix | Oct 6 2013 | |||
6c2590e41d85 | Axel Kohlmeyer | Removing pointer dereferencing to help with autoprefetch. | Oct 6 2013 | |||
a5a5210358d0 | Axel Kohlmeyer | Fixing a bug in charmm/long that would prevent the correct kernel from being… | Oct 6 2013 | |||
c8cc95152b4d | Axel Kohlmeyer | Fixing to ensure double precision extension enabled for PPPM with OpenCL. | Oct 6 2013 | |||
0cff15d30c6f | Axel Kohlmeyer | Adding intel tuning options for OpenCL builds. Changing 'GPU' to 'Device' in… | Oct 6 2013 | |||
bf88f817e06f | Axel Kohlmeyer | Changing opencl permissions for PPPM error flag due to some weird problem on… | Oct 6 2013 | |||
aa20e5f8eccb | Axel Kohlmeyer | Fixing permissions for OpenCL build for packed neighbor storage when using… | Oct 6 2013 | |||
02f75869b2e5 | Axel Kohlmeyer | Fixing bug in OpenCL build for CPUs where "views" were used for charge and rot… | Oct 6 2013 | |||
2c726d2de9b1 | Axel Kohlmeyer | put global qm/mm configuration variable into library | Oct 2 2013 | |||
4a29c877f44a | Axel Kohlmeyer | add qmmm library support | Oct 2 2013 | |||
0bbc1aae7b3d | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10836 f3b2605a-c512-4ea7… | Oct 1 2013 | |||
ead40dfa7ef1 | Axel Kohlmeyer | add sanity checks for input parameters. | Sep 29 2013 | |||
b5deac416e84 | Axel Kohlmeyer | include debug info, when compiling MEAM library | Sep 29 2013 | |||
c54da577a246 | Axel Kohlmeyer | add sanity checks for input parameters. | Sep 29 2013 | |||
7a0aa94a28bf | Axel Kohlmeyer | include debug info, when compiling MEAM library | Sep 29 2013 | |||
6203761e12cc | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10823 f3b2605a-c512-4ea7… | Sep 23 2013 | |||
f632447c4dda | Axel Kohlmeyer | need to read index files in binary mode since seeking is not reliable in text… | Sep 19 2013 | |||
b46ddebe3eef | Axel Kohlmeyer | Merge remote branch 'lammps-ro/master' into lammps-icms | Sep 5 2013 | |||
2b9171177d50 | rjones | ATC version 2.0, date: Sep1 | Sep 1 2013 | |||
2c30d74d8d0d | Axel Kohlmeyer | Merge remote branch 'lammps-ro/master' into lammps-icms | Aug 29 2013 |
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