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8dc20218b0
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adjust code in switch statement for enabling colvars similar to what is done for disabling
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2015-10-13 19:13:12 -04:00 |
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8cdb890b10
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add argument checking and handle timerstep counters with 64-bit integers properly
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2015-10-13 12:16:27 -04:00 |
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52d245a964
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update colvars library to version from 2015-09-29
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2015-10-12 11:29:06 -04:00 |
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97e6e67ca9
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delete out-of-bounds label.
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2015-10-08 18:50:27 -04:00 |
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2638309e59
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Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
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2015-09-24 08:23:47 -04:00 |
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cb971f0166
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Kokkos bugfix
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14051 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-09-23 18:10:39 +00:00 |
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01bc05a7fc
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import proposed GPU bugfix from trung.
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2015-09-15 11:40:36 -04:00 |
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942cce877b
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14004 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-09-08 23:38:11 +00:00 |
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acddfc7217
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include sw/gpu bugfix from trung
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2015-09-08 10:32:14 -04:00 |
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c7303a1c1d
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14001 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-09-08 14:13:03 +00:00 |
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7a06a4dc9f
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update colvars to version from Sept 3rd 2015
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2015-09-03 13:33:28 -04:00 |
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ae980d6fd1
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13986 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-09-02 20:41:38 +00:00 |
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e36993cc84
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h5md library should be compiled with -fPIC by default
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2015-09-01 11:00:22 -04:00 |
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0f3d77ed75
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13950 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-08-28 23:35:43 +00:00 |
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0391af7650
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directory paths and install script were still broken for USER-H5MD
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2015-08-28 15:06:07 -04:00 |
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dc85234bf6
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remove unneeded files from voro++ library
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2015-08-26 00:24:58 -04:00 |
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06f8fa153c
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remove direct HDF5 API call from main code; redirect to wrapper library instead
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2015-08-24 18:05:43 -04:00 |
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d77b7c2b77
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compile h5md library correctly
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2015-08-24 16:03:05 -04:00 |
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fd629d412d
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step 1 on merging changes from ch5md to h5md
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2015-08-24 15:49:27 -04:00 |
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0fa1a952e0
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rename h5md library path to which git seemed to have missed.
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2015-08-24 15:45:25 -04:00 |
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d287261e17
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next attempt to fix the HDF5 compilation on Travis CI's ubuntu VMs.
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2015-08-24 15:34:03 -04:00 |
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591bb6f464
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not all HDF5 calls are abstraced by wrapper library. need compatibility define in regular build, too.
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2015-08-24 15:23:30 -04:00 |
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54a14b07a3
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change settings for H5MD support, so it compiles on ubuntu 12.04 LTS and add to CI
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2015-08-24 15:06:45 -04:00 |
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187e0b9ce4
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Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
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2015-08-21 06:48:52 -04:00 |
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fec0587835
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13926 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-08-20 16:53:24 +00:00 |
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3fcbe43295
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Commented out line (temporarily) that causes a segmentation fault in the USER-AWPMD library
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13925 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-08-20 15:55:19 +00:00 |
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e5f316ecf1
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Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
# Conflicts:
# doc/Manual.html
# doc/Manual.txt
# doc/Section_start.txt
# doc/dump_h5md.html
# doc/dump_h5md.txt
# doc/package.txt
# src/COMPRESS/dump_atom_gz.cpp
# src/Makefile
# src/USER-H5MD/README
# src/pair.cpp
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2015-08-20 07:42:31 -04:00 |
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494ee3b26c
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Updating Kokkos library--adding new folder
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13922 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-08-19 22:17:15 +00:00 |
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e2ac7b2352
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Updating Kokkos library--first deleting old folder
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13921 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-08-19 22:12:32 +00:00 |
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e2f07a155c
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MEAM library does not play well with clang. force using gcc
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2015-08-19 17:24:57 -04:00 |
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3e90c3eeab
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13913 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-08-19 15:43:07 +00:00 |
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185e746ccb
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13908 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-08-19 15:19:08 +00:00 |
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071ded95fc
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13907 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-08-19 15:16:24 +00:00 |
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21f8abda24
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13906 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-08-19 15:15:32 +00:00 |
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1c3e0dbfe9
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13904 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-08-19 14:56:21 +00:00 |
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55c32a2e06
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colvars update 2015-08-12
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2015-08-14 09:28:24 -04:00 |
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89df652bda
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add custom build fedora laptop
|
2015-08-13 08:22:30 -04:00 |
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83f21d479c
|
convery library compression styles into "COMPRESS" package
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2015-08-12 08:08:22 -04:00 |
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c020fba2a1
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Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
# Conflicts:
# src/USER-SMD/Install.sh
|
2015-08-11 10:02:23 -04:00 |
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4731f7e94a
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13856 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-08-10 20:35:31 +00:00 |
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f2276c9d9f
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13854 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-08-10 20:27:45 +00:00 |
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23b6b284ce
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include stripped down copy of Eigen3 for USER-SMD
|
2015-08-07 00:37:10 -04:00 |
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4fef3cd9f0
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Merge branch 'lammps-icms' of bitbucket.org:akohlmey/lammps-icms into lammps-icms
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2015-08-06 00:57:28 -04:00 |
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5107280519
|
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
# Conflicts:
# doc/Manual.html
# doc/Manual.txt
|
2015-08-06 00:51:11 -04:00 |
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2f7344a02a
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13831 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-08-04 19:55:02 +00:00 |
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dc55db069c
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clarify a few more things for integration of HDF5 support
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2015-08-03 17:20:19 -04:00 |
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0aa79be6a1
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adjust build system to be more consistent with LAMMPS conventions
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2015-08-03 17:04:09 -04:00 |
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9d56187805
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reduce amount of warnings printed
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2015-08-03 17:03:43 -04:00 |
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c175e7f180
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Merge branch 'start_dump_h5md' of git://github.com/pdebuyl/lammps into merge_hdf5_support
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2015-08-03 16:44:30 -04:00 |
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7e942ca0dc
|
mention 2015 and later debian hdf5 path
|
2015-08-03 22:20:32 +02:00 |
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