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4073 Commits

Author SHA1 Message Date
Steve Plimpton 7ddcb6812b patch 17Aug17 2017-08-17 16:02:20 -06:00
Steve Plimpton 76cd61350d Merge pull request #613 from akohlmey/collected-small-changes 
Collected small changes and bug fixes
 2017-08-17 11:34:52 -06:00
Steve Plimpton fa3c0c61d6 Merge pull request #618 from lammps/intel 
USER-INTEL add-ons from Mike
 2017-08-17 11:32:53 -06:00
Steve Plimpton c46d5ff422 Merge pull request #612 from giacomofiorin/colvars-update-2017-08-10 
Minor fixes to Colvars module
 2017-08-17 11:32:38 -06:00
Axel Kohlmeyer 7175abcc71 flag more pair styles as supporting USER-INTEL to match newly added code 2017-08-16 13:58:46 -04:00
Axel Kohlmeyer e34b20405c Fix a couple of typos in the docs 2017-08-15 21:10:05 -04:00
Steve Plimpton 1d4d2155a2 USER-INTEL add-ons from Mike 2017-08-15 17:12:07 -06:00
Axel Kohlmeyer cee87d7a54 update manual to point to packages.lammps.org instead of rpm.lammps.org 2017-08-15 16:19:09 -04:00
Steve Plimpton 0b3f1b8a15 patch 11Aug17 2017-08-11 12:19:02 -06:00
Steve Plimpton 52bec0f380 patch 10Aug17 2017-08-10 16:44:09 -06:00
Axel Kohlmeyer c8741f3a01 remove special_bonds extra keyword and refer to read_data and create_box instead 2017-08-10 15:12:56 -04:00
Giacomo Fiorin da01be7c18 More robust change from initial to target restraint centers in Colvars 2017-08-10 09:22:53 -04:00
Axel Kohlmeyer f9a515efd3 add some remarks about makefile settings on windows 2017-08-10 07:24:24 -04:00
Axel Kohlmeyer 5b55744209 fix a header line formatting issue 2017-08-10 07:21:39 -04:00
Axel Kohlmeyer f01103dd08 correctly use the term CUDA (instead of Cuda) when not referring to the KOKKOS device flag (which is Cuda) 2017-08-09 19:08:23 -04:00
Axel Kohlmeyer 81f4d7ecb5 rework section 4 (Packages) in the manual to match Install.py scripts 2017-08-09 19:07:20 -04:00
Steve Plimpton 0a54c34e34 Merge pull request #600 from akohlmey/install-and-docs-reviewed 
Installation scripts and docs reviewed for release
 2017-08-07 08:02:04 -06:00
Richard Berger e0f9a7c34c Adds BOW tutorial link in main menu 2017-08-07 00:06:53 -04:00
Richard Berger aaf17bde3f Added tutorial for using LAMMPS in Bash on Windows 2017-08-07 00:06:12 -04:00
Axel Kohlmeyer 5ad8a3332d Merge pull request #55 from GarrettTow/patch-1 
Fixed typo in "compute_voronoi_atom.txt"
 2017-08-04 19:18:57 -04:00
GarrettTow ca7a3a6316 Fixed typo in "compute_voronoi_atom.txt" 
There was the typo "requiers" in the Restrictions section of compute_voronoi_atom.txt.
 2017-08-04 17:48:27 -04:00
Axel Kohlmeyer 59ac6ef573 correct a link and a name for OpenKIM 2017-08-04 11:19:09 -04:00
Axel Kohlmeyer 2fa16bcd4c make overlapping links to references unique to avoid anchor label errors 2017-08-04 11:11:41 -04:00
Richard Berger 96d3712817 Add missing link flag 2017-07-31 15:52:44 -06:00
Richard Berger b395ef00b4 Update tutorial_pylammps.txt 2017-07-31 15:50:14 -06:00
Axel Kohlmeyer e7d9aabca6 Merge branch 'kim-install' into install-and-docs-reviewed 2017-07-28 11:25:08 -04:00
Axel Kohlmeyer 72419b6313 Merge remote-tracking branch 'github/kim-doc' into install-and-docs-reviewed 2017-07-26 19:35:15 -04:00
Axel Kohlmeyer da7a5f55d3 Merge branch 'kim-install' into install-and-docs-reviewed 2017-07-26 19:32:55 -04:00
Steve Plimpton 934cbbbeca restore lost KIM doc section in Section packages 2017-07-26 16:07:08 -06:00
Steve Plimpton a59b7e4d56 patch 24Jul17 2017-07-24 09:09:22 -06:00
Axel Kohlmeyer 3449d42267 include pair style kim doc changes that were accidentally included in PR #590 2017-07-20 17:58:49 -04:00
Axel Kohlmeyer 551001f172 revert change, that is part of the kim-install branch and changeset 2017-07-20 17:08:19 -04:00
Steve Plimpton 59db5f6a17 update of Fortran-DFTB interface to be compatible with fix msst 2017-07-20 14:40:35 -06:00
sjplimp 3cd597e948 Merge pull request #585 from akohlmey/make-py-manual-cleanup 
Make.py removal and manual cleanup
 2017-07-20 12:05:04 -06:00
sjplimp eca61226c2 Merge pull request #583 from giacomofiorin/colvars-update-2017-07-19 
Update Colvars to version 2017-07-15 and support automated builds for it
 2017-07-20 12:04:49 -06:00
sjplimp fac3e3daa2 Merge pull request #581 from libAtoms/idces2quip 
Modified USER-QUIP interface to pass lammps atom IDs
 2017-07-20 12:04:32 -06:00
Axel Kohlmeyer a351977c59 update manual links that got broken when removing and renumbering a section 2017-07-20 12:25:42 -04:00
Giacomo Fiorin ee6cac826e Update Colvars to version 2017-07-15 and support automated builds for it 2017-07-19 14:24:07 -04:00
Axel Kohlmeyer 52a1c54d50 support QUIP wrapper API version query, relax hybrid restriction to allow hybrid/overlay, update docs 2017-07-19 13:17:35 -04:00
Max Veit fcf9607a66 Update USER_QUIP docs to clarify use of "special_bonds" 2017-07-19 17:47:21 +01:00
Axel Kohlmeyer 5cbaf7ca1d correct commands table format issue 2017-07-18 14:47:54 -04:00
Axel Kohlmeyer 49e6c2eb7d remove references to Make.py from the manual and instead refer to section 4 2017-07-18 13:14:03 -04:00
Axel Kohlmeyer a92d792537 update manual links that got broken when removing and renumbering a section 2017-07-18 12:55:55 -04:00
Steve Plimpton 296e572e69 better Install.py script for KIM from Ryan Elliott 2017-07-14 16:25:16 -06:00
Axel Kohlmeyer 3b1134c164 correct formatting error in peridynamics pair style docs 2017-07-14 13:42:02 -04:00
sjplimp fc36754ca2 Merge pull request #561 from v0i0/fix-airebo-various 
Fix Various AIREBO issues
 2017-07-13 13:10:42 -06:00
sjplimp 3a46c34c2f Merge pull request #574 from lammps/snap-virial 
changes to SNAP virial from Aidan
 2017-07-13 13:07:29 -06:00
sjplimp a3a0c9b144 Merge pull request #570 from akohlmey/collected-small-changes 
Collected small changes
 2017-07-13 11:26:47 -06:00
sjplimp e58bcd8b4a Merge pull request #568 from akohlmey/fix_gcmc_parallel_workaround 
Workaround for data corruption when using fix gcmc in parallel with shake or fix rigid
 2017-07-13 11:23:49 -06:00
sjplimp ef2f4980e9 Merge pull request #566 from akohlmey/compute_rdf_dynamic 
Dynamic group and normalization support for compute rdf
 2017-07-13 11:23:22 -06:00