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b341cb4e1e
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Merge branch 'lammps-icms' of git://git.icms.temple.edu/lammps-icms into lammps-icms
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2013-07-25 09:17:23 +02:00 |
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1bc62d40b2
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more mostly cosmetic issues found by clang
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2013-07-24 23:24:18 +02:00 |
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980446c646
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handle clang warnings
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2013-07-24 22:54:59 +02:00 |
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901614940a
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fix bug from uninitialized variable
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2013-07-24 22:54:19 +02:00 |
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de14e165bd
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cannot override CC and CXX unconditionally
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2013-07-24 20:05:50 +02:00 |
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ec8e9e75ba
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support compiler interposing for clang analyzer
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2013-07-24 17:49:05 +02:00 |
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45df2c2d3e
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adapt to changes from upstream
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2013-07-24 13:59:54 +02:00 |
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f6484736ec
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Merge remote branch 'lammps-ro/master' into lammps-icms
Resolved Conflicts:
doc/Manual.txt
src/input.cpp
tools/msi2lmp/test/reference/crambin-class1.data~lammps-ro_master~2
tools/msi2lmp/test/reference/nylon-class1.data~lammps-ro_master~2
tools/restart2data.cpp
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2013-07-24 13:33:50 +02:00 |
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e9820ddf72
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add error message description to the header
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2013-07-24 10:28:41 +02:00 |
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3772ce4c53
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better checking for using the proper r-RESPA level
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2013-07-24 09:50:32 +02:00 |
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f4507c2f1f
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fix compilation problem with last commit
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2013-07-24 08:59:25 +02:00 |
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b8d24cb627
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10316 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-07-23 23:07:54 +00:00 |
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5796e10597
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10315 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-07-23 22:29:50 +00:00 |
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db71c4fc9e
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add (untested) support for using GPU styles on the outermost r-RESPA level
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2013-07-23 23:03:29 +02:00 |
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ec60529f40
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10312 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-07-23 19:06:22 +00:00 |
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87d674ca21
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10311 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-07-23 19:06:11 +00:00 |
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cb7f385d43
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10310 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-07-23 19:01:37 +00:00 |
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4b21fc7c81
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10306 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-07-23 16:20:57 +00:00 |
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d79e494435
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10303 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-07-23 16:16:28 +00:00 |
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04b2bbfc43
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10302 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-07-23 16:14:44 +00:00 |
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7b96d1c2f8
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10301 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-07-23 16:13:59 +00:00 |
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dda38788f7
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10300 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-07-23 16:13:20 +00:00 |
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d7ce1099e6
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10297 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-07-23 15:36:14 +00:00 |
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196c284e00
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10295 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-07-23 15:26:24 +00:00 |
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ad2266e4bf
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10292 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-07-23 15:21:27 +00:00 |
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ba877e83ca
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10291 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-07-23 15:21:17 +00:00 |
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42408bc41d
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10290 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-07-23 15:18:51 +00:00 |
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2584cbe902
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10289 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-07-23 15:16:11 +00:00 |
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b49a5519f2
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10285 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-07-23 15:10:07 +00:00 |
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366484eb34
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10284 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-07-23 15:02:51 +00:00 |
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481bcc774b
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10283 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-07-23 15:01:19 +00:00 |
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a8b5501008
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undo part of the bugfix to be in sync with steve's version
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2013-07-23 15:20:17 +02:00 |
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00d46d8490
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added /omp version of tip4p/cut
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2013-07-23 13:06:19 +02:00 |
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69fd52746c
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Merge branch 'lammps-ro/master' (early part) into lammps-icms
Resolved Conflicts:
doc/Manual.txt
src/USER-COLVARS/fix_colvars.cpp
src/variable.cpp
tools/msi2lmp/README
tools/msi2lmp/src/ReadCarFile.c
tools/msi2lmp/src/msi2lmp.c
tools/msi2lmp/src/msi2lmp.h
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2013-07-23 12:55:58 +02:00 |
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2135141fe9
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10282 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-07-22 23:02:25 +00:00 |
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40f46faac5
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10278 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-07-22 22:55:46 +00:00 |
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c102c621e3
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10277 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-07-22 22:54:22 +00:00 |
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580bffefea
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10273 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-07-22 22:27:57 +00:00 |
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e3bc276ce6
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10272 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-07-22 22:21:25 +00:00 |
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fb3e1ba893
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10271 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-07-22 22:20:18 +00:00 |
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57da8e53df
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10270 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-07-22 22:16:56 +00:00 |
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aa85ae4266
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added tip4p/cut style
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2013-07-23 00:14:58 +02:00 |
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7ba4c87055
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correct error messages
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2013-07-23 00:14:29 +02:00 |
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d255952ed9
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correct error messages and docs. add /omp version for tip4p/long
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2013-07-22 23:24:14 +02:00 |
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94011f1fa0
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add a coulomb-only pair style for tip4p
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2013-07-22 23:06:37 +02:00 |
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24ad8092d5
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make output conform to colvar library conventions
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2013-07-22 13:46:32 +02:00 |
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07ea228eda
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add write_data support to some more styles
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2013-07-22 07:01:43 +02:00 |
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5c8cc08225
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update error docs
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2013-07-22 07:01:16 +02:00 |
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063e4edfc5
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cleaner logic for one-time initialization
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2013-07-21 20:20:20 +02:00 |
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94335444f8
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move one time initialization into a separate method
when continuning from a binary restart, we need to make sure the colvars proxy module has been instantiated.
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2013-07-21 15:47:01 +02:00 |
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