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e196a2b9e5
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import changes to various fixes by aidan to include virial contributions
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2017-09-11 22:24:06 -04:00 |
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366d087027
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update docs for changes to makefiles
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2017-09-06 14:20:24 -04:00 |
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fe557cb882
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fix typo in commands table
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2017-09-06 11:35:52 -04:00 |
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c80203cb01
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Merge pull request #641 from lammps/doc-tweak
small update to docs for new commands
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2017-09-06 08:52:51 -06:00 |
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4161868bcf
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Merge pull request #640 from ohenrich/user-cgdna
USER-CGDNA - sequence-dependent stacking and h-bonding strength
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2017-09-06 08:52:05 -06:00 |
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99791ce01c
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Merge pull request #632 from timattox/USER-DPD_kokkos_merge
Add Kokkos version of the USER-DPD package
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2017-09-06 08:50:43 -06:00 |
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d886cc91f3
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fix syntax error in fix saed/vtk docs example
This addresses the issue reported on github
by @subhammridha closes thus clodes #642
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2017-09-05 17:45:56 -04:00 |
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45602e58f9
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fix another couple of typos
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2017-09-05 12:48:28 -04:00 |
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cd72532fb9
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fix typo
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2017-09-05 12:47:34 -04:00 |
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b170606052
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Merge pull request #620 from amilumas/master
Temper_NPT
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2017-09-05 10:08:55 -06:00 |
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65b295e826
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Merge pull request #638 from jdevemy/master
Mods for extra/special/per/atom and add toluene
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2017-09-05 10:05:49 -06:00 |
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89a0bc947f
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small update to docs for new commands
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2017-09-05 10:04:20 -06:00 |
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c8967a335f
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Included hyperlink to package
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2017-09-05 11:45:32 +01:00 |
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2105145f55
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More minor changes
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2017-09-05 11:40:36 +01:00 |
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f7715ab6ce
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Added comment about optimised damping coefficient for BD
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2017-09-05 11:35:26 +01:00 |
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12fe614ddf
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Added sequence-dependent stacking and base-pairing strength
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2017-09-05 10:48:38 +01:00 |
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88d54d49b8
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Documentation entries for fix_modify bodyforces option
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2017-09-01 17:40:49 -03:00 |
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2b9646097c
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Merge branch 'master' of github.com:lammps/lammps
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2017-09-01 09:16:11 -06:00 |
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f58088ae61
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patch 1Sep17
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2017-09-01 09:15:37 -06:00 |
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f3dda30f8e
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fully integrate temper/npt command into manual
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2017-08-31 13:53:40 -04:00 |
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a5b65c1af4
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Mods for extra/special/per/atom and add toluene
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2017-08-31 15:03:04 +02:00 |
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f57d194920
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Add files via upload
documentation for temper/npt
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2017-08-29 10:40:37 -04:00 |
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736e063971
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Merge branch 'master' (21893539cb Aug 25) into USER-DPD_kokkos_merge
Resolved conflicts in src/KOKKOS/npair_kokkos.cpp
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2017-08-28 14:46:50 -05:00 |
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81ba181349
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tweak an eq in USER-MESO, also allow neigh to be built w/out styles
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2017-08-25 17:04:36 -06:00 |
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e52a28f8af
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Update docs for Kokkos version of USER-DPD package
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2017-08-25 16:20:42 -06:00 |
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6db3bd87ee
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correct typo in header formatting
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2017-08-23 17:52:09 -04:00 |
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7b7a5076d0
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Merge pull request #624 from akohlmey/compute-fragment
Add computes fragment/atom and aggregate/atom
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2017-08-23 14:14:33 -06:00 |
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f7a0a6eb70
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Merge pull request #622 from akohlmey/collected-small-fixes
Collected small fixes
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2017-08-23 14:12:45 -06:00 |
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97edf90a73
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update fix qeq docs for the new, more flexible parameter file format
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2017-08-23 11:22:09 -04:00 |
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cdfb1aa043
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make links unique, fix doc format warnings and add entries to administrative files
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2017-08-23 00:39:52 -04:00 |
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b80752a40c
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restore changes to read_data docs, that would have been lost due to merging an outdated version
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2017-08-23 00:01:19 -04:00 |
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5a0c3aea8a
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add a compute aggregate/atom, that combines the rules for compute cluster/atom and fragment/atom
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2017-08-21 13:12:43 -04:00 |
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f5b8f722ee
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remove non-portable non-ascii blanks from fix wall/ees docs
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2017-08-20 10:09:21 -04:00 |
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39e51df2c0
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add missing entry in pdf manual
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2017-08-20 10:02:11 -04:00 |
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4dc1195cd8
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add docs for compute fragment/atom
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2017-08-20 09:41:49 -04:00 |
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f945d4567d
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new USER-MESO package
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2017-08-18 17:33:42 -06:00 |
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7ddcb6812b
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patch 17Aug17
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2017-08-17 16:02:20 -06:00 |
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76cd61350d
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Merge pull request #613 from akohlmey/collected-small-changes
Collected small changes and bug fixes
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2017-08-17 11:34:52 -06:00 |
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fa3c0c61d6
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Merge pull request #618 from lammps/intel
USER-INTEL add-ons from Mike
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2017-08-17 11:32:53 -06:00 |
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c46d5ff422
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Merge pull request #612 from giacomofiorin/colvars-update-2017-08-10
Minor fixes to Colvars module
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2017-08-17 11:32:38 -06:00 |
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7175abcc71
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flag more pair styles as supporting USER-INTEL to match newly added code
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2017-08-16 13:58:46 -04:00 |
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e34b20405c
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Fix a couple of typos in the docs
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2017-08-15 21:10:05 -04:00 |
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1d4d2155a2
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USER-INTEL add-ons from Mike
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2017-08-15 17:12:07 -06:00 |
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cee87d7a54
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update manual to point to packages.lammps.org instead of rpm.lammps.org
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2017-08-15 16:19:09 -04:00 |
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0b3f1b8a15
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patch 11Aug17
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2017-08-11 12:19:02 -06:00 |
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52bec0f380
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patch 10Aug17
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2017-08-10 16:44:09 -06:00 |
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c8741f3a01
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remove special_bonds extra keyword and refer to read_data and create_box instead
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2017-08-10 15:12:56 -04:00 |
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da01be7c18
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More robust change from initial to target restraint centers in Colvars
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2017-08-10 09:22:53 -04:00 |
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f9a515efd3
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add some remarks about makefile settings on windows
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2017-08-10 07:24:24 -04:00 |
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5b55744209
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fix a header line formatting issue
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2017-08-10 07:21:39 -04:00 |
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