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d7abb8cf4d
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Revert "bond/react: doc corrections, mostly formatting"
This reverts commit da88305f4d.
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2018-11-16 20:42:52 -07:00 |
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da88305f4d
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bond/react: doc corrections, mostly formatting
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2018-11-16 20:41:49 -07:00 |
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177a5ddb7a
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Merge pull request #34 from lammps/master
rebase
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2018-11-16 20:29:46 -07:00 |
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bbcb659158
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render fix commands in 6 columns instead of 8 so only narrow screens need to scroll horizontally
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2018-11-16 22:09:07 -05:00 |
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dc6054fc2d
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rename "All commands" headers to "General commands"
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2018-11-16 22:04:35 -05:00 |
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0264edfcec
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provide example for how to set Tdamp correctly to 100 timesteps for all choices of unit
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2018-11-16 16:27:47 -05:00 |
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a66384cfea
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update github tutorial/howto for recent changes in the development workflow
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2018-11-16 16:27:05 -05:00 |
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fd4262805d
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for enabling MPIIO we also need to set -DLMP_MPIIO
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2018-11-16 15:48:35 -05:00 |
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0d72c3769d
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Merge pull request #1212 from stanmoore1/git_doc
Tweak to github-development-workflow.md
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2018-11-16 12:44:58 -05:00 |
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177733ecdd
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Merge pull request #1211 from lammps/doc-hyper
change warning to just a note
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2018-11-16 12:11:54 -05:00 |
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0b60bf65d1
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Merge pull request #1210 from giacomofiorin/colvars-update
Update Colvars library to version 2018-11-16
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2018-11-16 12:00:41 -05:00 |
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c5c26abdd3
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change warning to just a note
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2018-11-16 09:26:37 -07:00 |
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5974741eea
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Tweak to github-development-workflow.md
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2018-11-16 09:26:12 -07:00 |
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d8f540a433
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Merge branch 'master' into colvars-update
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2018-11-16 11:24:10 -05:00 |
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0a96b891ef
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Merge pull request #1209 from pdebuyl/fix_cmake_h5md
fix cmake build for USER-H5MD
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2018-11-16 11:22:45 -05:00 |
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11de8dafe3
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Update Colvars library to version 2018-11-16
Fixes several issues with running averages and time correlation function
computations. Details are in:
https://github.com/Colvars/colvars/issues/143
https://github.com/Colvars/colvars/issues/193
https://github.com/Colvars/colvars/pull/194
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2018-11-16 09:57:07 -05:00 |
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2c979e878f
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fix cmake build for USER-H5MD
The hdf5 includes were needed as well for building the dump.
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2018-11-16 15:18:58 +01:00 |
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cf79751f4f
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Merge pull request #1207 from akohlmey/next-patch-release
Patch release 15 November 2018
patch_15Nov2018
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2018-11-15 19:33:52 -05:00 |
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e4dee3de17
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Merge pull request #1206 from akohlmey/collected-small-changes
Collected small changes for next release
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2018-11-15 17:29:26 -05:00 |
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6e225d90fc
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fix some minor bugs write data file writing and remove dead code and silence compiler warnings
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2018-11-15 16:50:56 -05:00 |
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1fc3b4618c
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remove dead code and silence compiler warnings
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2018-11-15 16:50:56 -05:00 |
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eae9d27f6d
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OpenMP support from the compiler is not a requirement for USER-OMP. Without OpenMP, it is like the OPT package but for many more styles, so it is still useful and should be supported.
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2018-11-15 16:50:56 -05:00 |
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db29ec7eee
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complete workflow document
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2018-11-15 14:58:02 -05:00 |
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090778c42b
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Merge pull request #1204 from lammps/doc-plumed
Linkage mode improvements and documentation updates for USER-PLUMED package
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2018-11-15 13:48:58 -05:00 |
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db935dba5e
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Merge pull request #1201 from junghans/cmake_doc
cmake: update internal doc about how cmake finds executables
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2018-11-15 13:48:17 -05:00 |
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e160376365
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incomplete first draft. committed for checking the markup in github.
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2018-11-15 12:45:15 -05:00 |
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d5f222464b
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Update README.md
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2018-11-15 09:48:46 -07:00 |
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4d9e2a014b
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add detailed build instructions and discussion of linkage modes for PLUMED library and USER-PLUMED package
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2018-11-15 11:35:04 -05:00 |
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8a4983e4bc
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reformatting and simplification of fix plumed docs
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2018-11-15 10:53:38 -05:00 |
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82d6aa9add
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interlink fixes colvars, plumed, and smd
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2018-11-15 10:52:41 -05:00 |
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4231ab3d57
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correct some links
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2018-11-15 10:52:03 -05:00 |
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25914ea3f3
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patch 15Nov2018
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2018-11-15 10:17:25 -05:00 |
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47bf9f73be
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Merge pull request #33 from lammps/master
rebase
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2018-11-14 22:01:31 -07:00 |
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003bb28471
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make @gtribello code owner of the USER-PLUMED package
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2018-11-14 22:17:25 -05:00 |
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a557644939
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support all three plumed linkage modes with CMake as well. For downloaded and previously installed plumed lib
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2018-11-14 22:13:18 -05:00 |
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04520e627d
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add code and scripts to support all three plumed linkage modes with fix plumed for conventional build
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2018-11-14 21:26:36 -05:00 |
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03b1129abd
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Update pair_kim to check for ModelRoutine requirements
Also fixup cmake settings for PKG_KIM
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2018-11-14 13:11:47 -05:00 |
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ddd5e61254
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Commit JT 111418
- removed muk table (size kmax3d, mem fault)
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2018-11-14 09:46:16 -07:00 |
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952e52982e
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add comment to indicate code intended for backward compatibility only
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2018-11-14 05:37:59 -05:00 |
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a942d8b3ba
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use memset() for clearing of arrays
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2018-11-14 05:30:23 -05:00 |
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7a22b8aa62
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check only in currently added data file atoms for dihedral overflow
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2018-11-14 05:29:26 -05:00 |
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4c1fbc359a
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use tagint when unpacking atom tags from communication buffers
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2018-11-14 05:28:19 -05:00 |
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d66a1ac054
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Commit JT 111318
- corrections pair/spin/dipolar/long
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2018-11-13 17:03:32 -07:00 |
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2c644c5f2e
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Merge pull request #1197 from akohlmey/collected-small-fixes
Collection of small changes and bugfixes for the next release
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2018-11-13 15:18:09 -05:00 |
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b1186a971e
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Merge pull request #1202 from lammps/hyper
Add Hyper-dynamics to REPLICA package
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2018-11-13 15:17:30 -05:00 |
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2dbd575a4b
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Merge pull request #1203 from stanmoore1/kk_update
Update Kokkos library in LAMMPS to v2.7.24
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2018-11-13 15:15:09 -05:00 |
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4805e1df22
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doc page additions for USER-PLUMED package
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2018-11-13 08:29:07 -07:00 |
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380f0e4971
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remove some debugging code
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2018-11-13 08:06:40 -07:00 |
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a026ce9669
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correct broken links detected by make mobi
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2018-11-12 21:38:26 -05:00 |
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7e779d16de
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correct broken links in manual reported by 'make html'
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2018-11-12 21:33:37 -05:00 |
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