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895ca766ee
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Merge remote branch 'lammps-ro/master' into lammps-kokkos
Resolved Conflicts:
doc/Manual.html
doc/Manual.txt
doc/package.txt
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2014-06-02 10:45:39 +02:00 |
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4e3bc9d059
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12053 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-05-30 13:48:37 +00:00 |
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3cfef73208
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12041 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-05-29 22:52:05 +00:00 |
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596099f730
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fix makefile settings variable name bug
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2014-05-15 16:00:28 -04:00 |
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d17c0325d4
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11969 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-05-12 15:08:14 +00:00 |
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8c9c0ffd53
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step version of colvars library
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2014-05-08 17:26:11 -04:00 |
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9dbddf920b
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merge in latest changes from upstream colvars code
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2014-05-08 17:17:28 -04:00 |
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b38cb2573e
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update colvars library to produce no more warnings with g++ -Wall
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2014-05-08 17:17:06 -04:00 |
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104376fcba
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Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
Resolved Conflicts:
doc/Manual.html
doc/Manual.txt
lib/gpu/lal_sw.cu
src/GRANULAR/fix_pour.cpp
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2014-04-30 06:43:53 -04:00 |
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99f44f64cc
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11842 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-04-29 23:10:42 +00:00 |
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e83e04c92d
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update for GeForce TITAN GPU and CUDA RPM.
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2014-04-18 16:04:42 -04:00 |
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287db2231a
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11821 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-04-18 14:07:18 +00:00 |
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b928719b48
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update voro++ library to version 0.4.7 from svn repo on 2014-04-17
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2014-04-17 15:36:42 -04:00 |
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5fcfc9f575
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various little cleanups to silence compiler warnings
clarify/simplify some code and initialize variables where needed.
also remove dead code and unused class members
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2014-04-10 18:21:12 +02:00 |
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018e4a29de
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11724 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-04-07 19:42:46 +00:00 |
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20bb47e06a
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Merge remote branch 'lammps-ro/master' into lammps-icms
Resolved Conflicts:
doc/Manual.html
doc/Manual.txt
doc/fix_qmmm.txt
doc/fix_recenter.txt
lib/README
lib/qmmm/README
src/Makefile
src/USER-QMMM/README
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2014-04-05 12:58:39 +02:00 |
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e29324f449
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Updated the QM/MM library readme file to contain more detailed explanations of the build procedures for a QM/MM executable.
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2014-04-05 05:51:04 -04:00 |
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44b68e7651
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11715 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-04-04 20:38:19 +00:00 |
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d94e1e1ac5
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11711 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-04-04 20:08:01 +00:00 |
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ce73977732
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some clarifications to QM/MM interface code
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2014-04-01 13:49:38 +02:00 |
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f803908919
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Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
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2014-03-25 11:10:20 -04:00 |
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374dd09015
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remove code under development
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11671 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-03-24 21:07:56 +00:00 |
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4920531bac
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adjust accelerator code to the slightly different macros for neighborlist access that we have in LAMMPS-ICMS over upstream and thus make dpd/gpu work.
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2014-03-23 11:49:19 -04:00 |
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a1c872ffb4
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11667 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-03-21 20:42:38 +00:00 |
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b50e278331
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import missing file from trung
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2014-03-21 15:29:16 +01:00 |
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0f7f4a1e43
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Merge remote branch 'lammps-ro/master' into lammps-icms
Resolved Conflicts:
doc/Manual.html
doc/Manual.txt
lib/gpu/lal_device.cpp
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2014-03-21 13:58:34 +01:00 |
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8d9e3945dd
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11661 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-03-20 15:00:40 +00:00 |
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67afd6fb68
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11660 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-03-20 14:50:49 +00:00 |
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430aed042a
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Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
Conflicts:
doc/Manual.html
doc/Manual.txt
tools/msi2lmp/src/msi2lmp.c
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2014-03-20 10:50:23 -04:00 |
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68c5f66685
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Removing untested feature to fix bug affecting Windows builds
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11655 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-03-19 21:55:08 +00:00 |
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b07a3929d3
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select bitness for GPU library
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2014-02-17 11:13:05 -05:00 |
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19e47c5264
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11448 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-02-01 18:11:18 +00:00 |
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8a07871047
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Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
Resolved Conflicts:
doc/Manual.txt
src/REPLICA/neb.h
src/USER-REAXC/fix_qeq_reax.cpp
src/read_data.h
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2014-01-29 07:08:08 -05:00 |
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64138f3433
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11363 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-01-29 00:08:18 +00:00 |
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1e28f6b218
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11362 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-01-29 00:07:38 +00:00 |
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39b1597778
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Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
Resolved Conflicts:
doc/Manual.txt
src/RIGID/fix_shake.cpp
src/variable.cpp
src/write_data.cpp
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2014-01-26 21:35:32 -05:00 |
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28194a14eb
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11335 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-01-25 23:53:12 +00:00 |
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38ac088929
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update for new desktop installation
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2014-01-16 21:08:20 -05:00 |
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038e43c47b
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make gpu library compile with mikes gpu library mods
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2014-01-16 21:08:02 -05:00 |
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c9fb35679a
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make code compile with the inofficial changes in place from mike brown's repo
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2014-01-14 18:54:41 -05:00 |
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cdbf26c64b
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Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
Resolved Conflicts:
doc/Manual.txt
lib/gpu/lal_sw.cu
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2014-01-14 07:06:10 -05:00 |
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496746e338
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11231 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-01-13 15:52:16 +00:00 |
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bbffbe06a2
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11230 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-01-13 15:51:54 +00:00 |
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58c9dbe24f
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yet another bugfix from trung to fix segfaults with gpu library
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2014-01-08 10:14:51 -05:00 |
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58c693abb6
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update colvars code to git version as of 2013-12-16
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2013-12-16 13:51:34 +01:00 |
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98a0d63dc9
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improved bugfix for virial/energy tallying from trung
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2013-12-13 08:41:23 +01:00 |
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b937b89795
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include potential bugfix for gpu library from trung
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2013-12-12 09:28:13 +01:00 |
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d07827a3bc
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10899 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-10-30 15:25:42 +00:00 |
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b544776e57
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update colvars with .xyz support by jerome
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2013-10-24 10:13:33 +02:00 |
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1075b8356b
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add README file for qmmm lib.
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2013-10-11 17:39:10 +02:00 |
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