lammps/liblammm-devel
lammps/lib
lammm-devel
History Graph
History Graph
Commit | Author | Details | Committed | |||
---|---|---|---|---|---|---|
5f0578f95a42 | Axel Kohlmeyer | update colvars to version of 2016-04-20 | Apr 23 2016 | |||
184d5dc0f0e7 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14867 f3b2605a-c512-4ea7… | Apr 22 2016 | |||
35c5f9579926 | Axel Kohlmeyer | remove outdated makefiles | Apr 20 2016 | |||
44ca843073d3 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14841 f3b2605a-c512-4ea7… | Apr 18 2016 | |||
1b78b3432339 | Axel Kohlmeyer | permission cleanup | Apr 16 2016 | |||
b3d9ea134437 | Axel Kohlmeyer | whitespace cleanup | Apr 16 2016 | |||
9297032ed4e1 | Axel Kohlmeyer | use generic byte order preprocessor detection for fast math routines | Apr 16 2016 | |||
dc0734b3f70e | Axel Kohlmeyer | Merge branch 'coul-long-gpu-fixed' of https://github.com/ndtrung81/lammps into… | Apr 16 2016 | |||
9c6c7b2d0cba | ndtrung | Fixed bugs in coul/long/gpu | Apr 16 2016 | |||
a4e8eaaf4d60 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14833 f3b2605a-c512-4ea7… | Apr 15 2016 | |||
f50b03fcaba7 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14830 f3b2605a-c512-4ea7… | Apr 15 2016 | |||
212a95528583 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14829 f3b2605a-c512-4ea7… | Apr 15 2016 | |||
ee0630afea58 | Axel Kohlmeyer | update colvars library with bugfixes/updates from giacomo and jerome | Apr 15 2016 | |||
ef7e119c86fb | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14824 f3b2605a-c512-4ea7… | Apr 14 2016 | |||
c46d973c2bc9 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14823 f3b2605a-c512-4ea7… | Apr 14 2016 | |||
266c2476556c | Axel Kohlmeyer | minor cleanups for colvars. update to version 2016-04-08. | Apr 8 2016 | |||
5a26b927bcff | Axel Kohlmeyer | import colvars code with multi-thread support | Apr 8 2016 | |||
008896a77d6c | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14808 f3b2605a-c512-4ea7… | Apr 7 2016 | |||
67a4004f2353 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14807 f3b2605a-c512-4ea7… | Apr 7 2016 | |||
7910ec32971f | Axel Kohlmeyer | update from trung with bugfixes for tersoff/sw and new tersoff/mod/gpu and… | Mar 28 2016 | |||
0528cde33171 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14783 f3b2605a-c512-4ea7… | Mar 22 2016 | |||
acc29ff26610 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14778 f3b2605a-c512-4ea7… | Mar 22 2016 | |||
361ed36bedca | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14775 f3b2605a-c512-4ea7… | Mar 22 2016 | |||
79c065d992ac | A Bartok-Partay | added info to the README | Mar 22 2016 | |||
101d7664c80a | Axel Kohlmeyer | add proper dependencies for POEMS library | Mar 22 2016 | |||
83416c3a6d09 | Axel Kohlmeyer | fix incorrct use of array delete. | Mar 22 2016 | |||
cfbbfe6fddfd | Axel Kohlmeyer | initialize structs with memset() | Mar 22 2016 | |||
edb3f9559c51 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14758 f3b2605a-c512-4ea7… | Mar 21 2016 | |||
11f1ab658fac | Axel Kohlmeyer | improve test for numeric conversion, so it compiled with gcc 5.3 | Mar 21 2016 | |||
ad3c57cb63a8 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14746 f3b2605a-c512-4ea7… | Mar 14 2016 | |||
e58b10fa8121 | Axel Kohlmeyer | fix bug in lj/charmm/coul/charmm reported on lammps-users | Mar 11 2016 | |||
32123d875f8e | Axel Kohlmeyer | forgot file with dependencies | Mar 11 2016 | |||
e14762f7a19f | Axel Kohlmeyer | provide explicit dependencies in lib/meam for parallel make | Mar 11 2016 | |||
33d4321c4659 | Axel Kohlmeyer | update to colvars library as of 2016-03-08 | Mar 9 2016 | |||
943cc0ac196c | Axel Kohlmeyer | update Eigen template library to version 3.2.8 | Mar 2 2016 | |||
9d64c50cd0aa | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14709 f3b2605a-c512-4ea7… | Mar 1 2016 | |||
20beaccf0f53 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14703 f3b2605a-c512-4ea7… | Mar 1 2016 | |||
756480ba645f | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14701 f3b2605a-c512-4ea7… | Mar 1 2016 | |||
28c510d67bea | Axel Kohlmeyer | some more colvars updates to silence compiler warnings | Feb 28 2016 | |||
ebd41bc07fc2 | Axel Kohlmeyer | merge colvars updates as of feb 28th | Feb 28 2016 | |||
ab005ce59929 | Ryan S. Elliott | Updates to pair_kim to support hybrid and fix_adapt | Feb 22 2016 | |||
38c23402c330 | Axel Kohlmeyer | incorporate tersoff/gpu bugfix from trung | Feb 19 2016 | |||
688d865dafa2 | Axel Kohlmeyer | make QM/MM binary compilation compatible with update library build procedure in… | Feb 19 2016 | |||
08b53bb70997 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14657 f3b2605a-c512-4ea7… | Feb 18 2016 | |||
1d9d6f924170 | Axel Kohlmeyer | Merge remote branch 'lammps-ro/master' into lammps-icms | Feb 16 2016 | |||
52ca6416a08c | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14632 f3b2605a-c512-4ea7… | Feb 15 2016 | |||
cd14e4314d08 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14593 f3b2605a-c512-4ea7… | Feb 15 2016 | |||
70599efcf368 | Axel Kohlmeyer | Merge branch 'user-vtk' of git://github.com/rbberger/lammps into merge-pull-24 | Jan 31 2016 | |||
062b18022cb4 | Richard Berger | Added Makefile.lammps examples in lib/vtk for CentOS | Jan 30 2016 | |||
d4efa2d1c751 | Richard Berger | Added README to lib/vtk and examples for Makefile.lammps | Jan 30 2016 | |||
939889fd26dc | Axel Kohlmeyer | activate settings for newer VTK release | Jan 30 2016 | |||
23a4078194bb | Axel Kohlmeyer | update settings for CentOS 6.x with EPEL | Jan 30 2016 | |||
d8c3c99f546e | Richard Berger | Merge remote-tracking branch 'upstream/lammps-icms' into user-vtk | Jan 30 2016 | |||
6303826d2969 | Axel Kohlmeyer | Merge remote branch 'lammps-ro/master' into lammps-icms | Jan 29 2016 | |||
b355fa25f455 | stamoor | Squelching annoying kokkos output | Jan 28 2016 | |||
833f597b8182 | Axel Kohlmeyer | Merge remote branch 'lammps-ro/master' into lammps-icms | Jan 27 2016 | |||
0541d52c17a1 | stamoor | Fixing Kokkos bug | Jan 27 2016 | |||
ae296699bef2 | Richard Berger | Initial import from LIGGGHTS | Dec 24 2015 | |||
b5a1ba9bfade | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14371 f3b2605a-c512-4ea7… | Dec 15 2015 | |||
06a217aa08e6 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14370 f3b2605a-c512-4ea7… | Dec 15 2015 | |||
de060a56ad58 | Axel Kohlmeyer | Merge branch 'merge-pull-22' into lammps-icms | Dec 11 2015 | |||
441eeca80b9b | crtrott | Kokkos: put the LAMMPS specific settings into Makefile.kokkos | Dec 10 2015 | |||
91a791bbb3d8 | crtrott | Snapshot of kokkos.git from commit 0a776f65e7429b875839719c4fe528c15e871e46 | Dec 10 2015 | |||
27b1219a65f1 | Axel Kohlmeyer | Merge remote-tracking branch 'lammps-ro/master' into lammps-icms | Nov 25 2015 | |||
88f58beb97d6 | athomps | Added latest changes from Albert Bartok | Nov 24 2015 | |||
f6c76f46235d | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14265 f3b2605a-c512-4ea7… | Nov 18 2015 | |||
8689bf35f9fe | Axel Kohlmeyer | incorporate GPU package update from Trung | Nov 16 2015 | |||
32e7f09dba80 | Axel Kohlmeyer | Update Eigen template library components to version 3.2.7 | Nov 16 2015 | |||
dd6c89640ecb | Axel Kohlmeyer | plug memory leak in otherwise currently unused code | Nov 5 2015 | |||
ef44bbaf4336 | Axel Kohlmeyer | clean up a few small issues in lib/atc spotted by coverity | Oct 28 2015 | |||
f634a5e14053 | Axel Kohlmeyer | remove executable flag from makefiles | Oct 27 2015 | |||
449f373db533 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14165 f3b2605a-c512-4ea7… | Oct 23 2015 | |||
5e1998a1bd94 | Axel Kohlmeyer | record updated version number from colvars upstream repository | Oct 22 2015 | |||
c6e41c4a32c5 | Axel Kohlmeyer | remove REAX package and references to it in the documentation | Oct 20 2015 | |||
8dc20218b08d | Axel Kohlmeyer | adjust code in switch statement for enabling colvars similar to what is done… | Oct 14 2015 | |||
8cdb890b10c6 | Axel Kohlmeyer | add argument checking and handle timerstep counters with 64-bit integers… | Oct 13 2015 | |||
52d245a964a9 | Axel Kohlmeyer | update colvars library to version from 2015-09-29 | Oct 12 2015 | |||
97e6e67ca9a5 | Axel Kohlmeyer | delete out-of-bounds label. | Oct 9 2015 | |||
61649b57d0ed | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14075 f3b2605a-c512-4ea7… | Sep 25 2015 | |||
44c8bb9cbf2c | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14060 f3b2605a-c512-4ea7… | Sep 24 2015 | |||
6f39a0a78d86 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14059 f3b2605a-c512-4ea7… | Sep 24 2015 | |||
2638309e5946 | Axel Kohlmeyer | Merge remote-tracking branch 'lammps-ro/master' into lammps-icms | Sep 24 2015 | |||
cb971f016601 | stamoor | Kokkos bugfix | Sep 23 2015 | |||
01bc05a7fc76 | Axel Kohlmeyer | import proposed GPU bugfix from trung. | Sep 15 2015 | |||
942cce877bf8 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14004 f3b2605a-c512-4ea7… | Sep 9 2015 | |||
acddfc7217e5 | Axel Kohlmeyer | include sw/gpu bugfix from trung | Sep 8 2015 | |||
c7303a1c1d12 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14001 f3b2605a-c512-4ea7… | Sep 8 2015 | |||
7a06a4dc9f42 | Axel Kohlmeyer | update colvars to version from Sept 3rd 2015 | Sep 3 2015 | |||
ae980d6fd1f7 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13986 f3b2605a-c512-4ea7… | Sep 2 2015 | |||
e36993cc8415 | Axel Kohlmeyer | h5md library should be compiled with -fPIC by default | Sep 1 2015 | |||
0f3d77ed7509 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13950 f3b2605a-c512-4ea7… | Aug 29 2015 | |||
0391af765027 | Axel Kohlmeyer | directory paths and install script were still broken for USER-H5MD | Aug 28 2015 | |||
dc85234bf6fd | Axel Kohlmeyer | remove unneeded files from voro++ library | Aug 26 2015 | |||
06f8fa153c1f | Axel Kohlmeyer | remove direct HDF5 API call from main code; redirect to wrapper library instead | Aug 25 2015 | |||
d77b7c2b77c5 | Axel Kohlmeyer | compile h5md library correctly | Aug 24 2015 | |||
fd629d412d0b | Axel Kohlmeyer | step 1 on merging changes from ch5md to h5md | Aug 24 2015 | |||
0fa1a952e0ec | Axel Kohlmeyer | rename h5md library path to which git seemed to have missed. | Aug 24 2015 | |||
d287261e1722 | Axel Kohlmeyer | next attempt to fix the HDF5 compilation on Travis CI's ubuntu VMs. | Aug 24 2015 | |||
591bb6f4647a | Axel Kohlmeyer | not all HDF5 calls are abstraced by wrapper library. need compatibility define… | Aug 24 2015 | |||
54a14b07a355 | Axel Kohlmeyer | change settings for H5MD support, so it compiles on ubuntu 12.04 LTS and add to… | Aug 24 2015 |
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