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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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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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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restore changes to read_data docs, that would have been lost due to merging an outdated version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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f01103dd08
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correctly use the term CUDA (instead of Cuda) when not referring to the KOKKOS device flag (which is Cuda)
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2017-08-09 19:08:23 -04:00 |
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81f4d7ecb5
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rework section 4 (Packages) in the manual to match Install.py scripts
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2017-08-09 19:07:20 -04:00 |
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0a54c34e34
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Merge pull request #600 from akohlmey/install-and-docs-reviewed
Installation scripts and docs reviewed for release
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2017-08-07 08:02:04 -06:00 |
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e0f9a7c34c
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Adds BOW tutorial link in main menu
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2017-08-07 00:06:53 -04:00 |
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aaf17bde3f
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Added tutorial for using LAMMPS in Bash on Windows
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2017-08-07 00:06:12 -04:00 |
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5ad8a3332d
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Merge pull request #55 from GarrettTow/patch-1
Fixed typo in "compute_voronoi_atom.txt"
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2017-08-04 19:18:57 -04:00 |
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ca7a3a6316
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Fixed typo in "compute_voronoi_atom.txt"
There was the typo "requiers" in the Restrictions section of compute_voronoi_atom.txt.
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2017-08-04 17:48:27 -04:00 |
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59ac6ef573
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correct a link and a name for OpenKIM
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2017-08-04 11:19:09 -04:00 |
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2fa16bcd4c
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make overlapping links to references unique to avoid anchor label errors
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2017-08-04 11:11:41 -04:00 |
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96d3712817
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Add missing link flag
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2017-07-31 15:52:44 -06:00 |
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b395ef00b4
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Update tutorial_pylammps.txt
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2017-07-31 15:50:14 -06:00 |
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e7d9aabca6
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Merge branch 'kim-install' into install-and-docs-reviewed
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2017-07-28 11:25:08 -04:00 |
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72419b6313
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Merge remote-tracking branch 'github/kim-doc' into install-and-docs-reviewed
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2017-07-26 19:35:15 -04:00 |
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da7a5f55d3
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Merge branch 'kim-install' into install-and-docs-reviewed
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2017-07-26 19:32:55 -04:00 |
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934cbbbeca
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restore lost KIM doc section in Section packages
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2017-07-26 16:07:08 -06:00 |
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a59b7e4d56
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patch 24Jul17
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2017-07-24 09:09:22 -06:00 |
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3449d42267
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include pair style kim doc changes that were accidentally included in PR #590
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2017-07-20 17:58:49 -04:00 |
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551001f172
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revert change, that is part of the kim-install branch and changeset
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2017-07-20 17:08:19 -04:00 |
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59db5f6a17
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update of Fortran-DFTB interface to be compatible with fix msst
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2017-07-20 14:40:35 -06:00 |
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3cd597e948
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Merge pull request #585 from akohlmey/make-py-manual-cleanup
Make.py removal and manual cleanup
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2017-07-20 12:05:04 -06:00 |
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eca61226c2
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Merge pull request #583 from giacomofiorin/colvars-update-2017-07-19
Update Colvars to version 2017-07-15 and support automated builds for it
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2017-07-20 12:04:49 -06:00 |
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fac3e3daa2
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Merge pull request #581 from libAtoms/idces2quip
Modified USER-QUIP interface to pass lammps atom IDs
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2017-07-20 12:04:32 -06:00 |
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