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5e861837d8
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update input for current code
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2015-09-09 20:31:43 -04:00 |
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3591af9f33
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add compute tally test and usage reference examples
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2015-08-25 17:37:26 -04:00 |
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4bf254972b
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add old inpu examples for user-tally. need to rework for release
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2015-08-20 20:39:53 -04:00 |
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5107280519
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Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
# Conflicts:
# doc/Manual.html
# doc/Manual.txt
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2015-08-06 00:51:11 -04:00 |
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7e1de6da04
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13834 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-08-04 20:57:54 +00:00 |
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6c8830b828
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Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
# Conflicts:
# doc/Manual.html
# doc/Manual.txt
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2015-07-28 13:26:45 -04:00 |
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9ed741e904
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13738 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-07-27 18:12:18 +00:00 |
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3dfb446590
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13729 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-07-27 14:57:19 +00:00 |
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7af18596a1
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Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
# Conflicts:
# doc/Manual.html
# doc/Manual.txt
# src/fix_ave_histo.cpp
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2015-07-23 06:26:52 -04:00 |
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6864dfa2d1
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13682 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-07-22 15:52:49 +00:00 |
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63802b7688
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13674 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-07-22 15:26:43 +00:00 |
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c3fd41010d
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13464 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-05-15 16:33:17 +00:00 |
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21db4bc68c
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update to USER-FEP docs and examples
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2015-05-15 00:59:50 -04:00 |
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09bb220083
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Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
Resolved Conflicts:
doc/Manual.html
doc/Manual.txt
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2015-02-25 17:03:53 -05:00 |
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cb912c1954
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13150 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-02-24 16:28:56 +00:00 |
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74ba3d3095
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Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
Resolved Conflicts:
doc/Manual.html
doc/Manual.txt
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2014-12-01 11:27:44 -05:00 |
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6d4200ec45
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12800 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-11-26 16:05:29 +00:00 |
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1bfeda4e3e
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12799 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-11-26 16:04:35 +00:00 |
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475aa20270
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Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
Resolved Conflicts:
doc/Manual.html
doc/Manual.txt
doc/Section_intro.txt
doc/fix_gle.txt
doc/fix_ipi.txt
examples/USER/i-pi/README
src/USER-MISC/README
src/USER-MISC/fix_gle.cpp
src/USER-MISC/fix_ipi.cpp
src/USER-MISC/fix_ipi.h
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2014-11-25 15:01:31 -05:00 |
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6f94c97e48
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12786 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-11-24 19:52:27 +00:00 |
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223eea1510
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12784 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-11-24 19:38:27 +00:00 |
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a52ad2d6dd
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12772 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-11-24 17:14:39 +00:00 |
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72bf576c1a
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Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
Resolved Conflicts:
doc/Manual.html
doc/Manual.txt
src/compute_force_molecule.cpp
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2014-11-21 10:05:55 -05:00 |
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d845ef5e8f
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ATC version 2.0, date: Nov20
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12758 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-11-20 18:59:07 +00:00 |
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7d179faa17
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update colvars example outputs
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2014-11-06 16:46:41 -05:00 |
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aa9c30ae99
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update reference log file for colvars examples
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2014-10-29 18:35:52 -04:00 |
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fa9c01c701
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include histogram output in metadynamics example
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2014-10-27 14:53:55 -04:00 |
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c841d1dcb0
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update colvars reference log files with current LAMMPS/colvars version
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2014-10-26 04:46:59 -04:00 |
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a8a95efae3
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simple input examples for testing more colvars use cases for syntax and files generated
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2014-10-25 16:36:18 +02:00 |
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9dd1fd29b2
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Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
Resolved Conflicts:
src/MAKE/MORE/Makefile.debug
src/MAKE/MORE/Makefile.openmpi
src/MAKE/MORE/Makefile.serial
src/MAKE/MORE/Makefile.ubuntu_simple
src/MAKE/Makefile.g++
src/MAKE/Makefile.serial-opt
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2014-09-27 06:34:33 -04:00 |
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bf8b5e4d63
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Fixing broken basal example
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12562 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-09-26 17:00:51 +00:00 |
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62c95d86a8
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Fixing broken USER-EFF example
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12560 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-09-26 14:57:08 +00:00 |
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e162a292b6
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Merge remote branch 'lammps-ro/master' into lammps-icms
Resolved Conflicts:
doc/Manual.html
doc/Manual.txt
lib/cuda/Makefile.defaults
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2014-09-12 13:07:05 +02:00 |
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bbc60e3aef
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12494 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-09-11 16:54:18 +00:00 |
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dbc55a403f
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overhaul of fix ipi to be more consistent with LAMMPS programming conventions
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2014-08-12 11:33:59 -04:00 |
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f78d0004f3
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include example for i-PI use with fix ipi
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2014-08-11 18:00:14 -04:00 |
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57b8a339eb
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clean up reading of C matrix and fix missing scaling bug
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2014-08-05 01:51:31 -04:00 |
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8821eb0518
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cleaned up code some. doesn't seem to fully work yet.
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2014-08-05 01:14:23 -04:00 |
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c46236d706
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update input examples to be more similar to other LAMMPS examples
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2014-08-04 23:09:34 -04:00 |
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ff39614926
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import updated GLE fix from michele ceriotti
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2014-08-04 22:17:04 -04:00 |
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86d4432ff8
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import colored langevin thermostat package from michele ceriotti
this is the unmodified patch without testing its functionality.
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2014-06-23 18:15:03 -04:00 |
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063fae8961
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Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
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2014-06-11 06:15:59 -04:00 |
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7e1c6ccfac
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Fixing more broken USER-EFF examples
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12113 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-06-10 18:17:25 +00:00 |
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fcb81d2b48
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Fixing broken USER-EFF examples
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12110 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-06-10 17:00:33 +00:00 |
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00db690e64
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Updating USER-EFF examples to use compute property/atom
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12109 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-06-10 16:07:24 +00:00 |
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28b9fa3754
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12107 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-06-10 15:03:41 +00:00 |
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1ee7cb100d
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Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
Resolved Conflicts:
doc/Manual.html
doc/Manual.txt
src/atom_vec_hybrid.cpp
src/verlet.cpp
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2014-06-07 19:29:51 -04:00 |
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8dad71810c
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12089 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-06-05 12:52:13 +00:00 |
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f9f7283fa5
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Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
Resolved Conflicts:
doc/Manual.html
doc/Manual.txt
src/accelerator_cuda.h
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2014-05-14 07:18:26 -04:00 |
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f9864c81e0
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11983 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-05-13 16:17:32 +00:00 |
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