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15966 Commits

Author SHA1 Message Date
Axel Kohlmeyer cf79751f4f
Merge pull request #1207 from akohlmey/next-patch-release 
Patch release 15 November 2018
 2018-11-15 19:33:52 -05:00
Axel Kohlmeyer e4dee3de17
Merge pull request #1206 from akohlmey/collected-small-changes 
Collected small changes for next release
 2018-11-15 17:29:26 -05:00
Axel Kohlmeyer 6e225d90fc fix some minor bugs write data file writing and remove dead code and silence compiler warnings 2018-11-15 16:50:56 -05:00
Axel Kohlmeyer 1fc3b4618c remove dead code and silence compiler warnings 2018-11-15 16:50:56 -05:00
Axel Kohlmeyer eae9d27f6d 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. 2018-11-15 16:50:56 -05:00
Axel Kohlmeyer db29ec7eee complete workflow document 2018-11-15 14:58:02 -05:00
Axel Kohlmeyer 090778c42b
Merge pull request #1204 from lammps/doc-plumed 
Linkage mode improvements and documentation updates for USER-PLUMED package
 2018-11-15 13:48:58 -05:00
Axel Kohlmeyer db935dba5e
Merge pull request #1201 from junghans/cmake_doc 
cmake: update internal doc about how cmake finds executables
 2018-11-15 13:48:17 -05:00
Axel Kohlmeyer e160376365 incomplete first draft. committed for checking the markup in github. 2018-11-15 12:45:15 -05:00
Christoph Junghans d5f222464b
Update README.md 2018-11-15 09:48:46 -07:00
Axel Kohlmeyer 4d9e2a014b add detailed build instructions and discussion of linkage modes for PLUMED library and USER-PLUMED package 2018-11-15 11:35:04 -05:00
Axel Kohlmeyer 8a4983e4bc reformatting and simplification of fix plumed docs 2018-11-15 10:53:38 -05:00
Axel Kohlmeyer 82d6aa9add interlink fixes colvars, plumed, and smd 2018-11-15 10:52:41 -05:00
Axel Kohlmeyer 4231ab3d57 correct some links 2018-11-15 10:52:03 -05:00
Axel Kohlmeyer 25914ea3f3 patch 15Nov2018 2018-11-15 10:17:25 -05:00
Axel Kohlmeyer 003bb28471 make @gtribello code owner of the USER-PLUMED package 2018-11-14 22:17:25 -05:00
Axel Kohlmeyer a557644939 support all three plumed linkage modes with CMake as well. For downloaded and previously installed plumed lib 2018-11-14 22:13:18 -05:00
Axel Kohlmeyer 04520e627d add code and scripts to support all three plumed linkage modes with fix plumed for conventional build 2018-11-14 21:26:36 -05:00
Axel Kohlmeyer 952e52982e add comment to indicate code intended for backward compatibility only 2018-11-14 05:37:59 -05:00
Axel Kohlmeyer a942d8b3ba use memset() for clearing of arrays 2018-11-14 05:30:23 -05:00
Axel Kohlmeyer 7a22b8aa62 check only in currently added data file atoms for dihedral overflow 2018-11-14 05:29:26 -05:00
Axel Kohlmeyer 4c1fbc359a use tagint when unpacking atom tags from communication buffers 2018-11-14 05:28:19 -05:00
Axel Kohlmeyer 2c644c5f2e
Merge pull request #1197 from akohlmey/collected-small-fixes 
Collection of small changes and bugfixes for the next release
 2018-11-13 15:18:09 -05:00
Axel Kohlmeyer b1186a971e
Merge pull request #1202 from lammps/hyper 
Add Hyper-dynamics to REPLICA package
 2018-11-13 15:17:30 -05:00
Axel Kohlmeyer 2dbd575a4b
Merge pull request #1203 from stanmoore1/kk_update 
Update Kokkos library in LAMMPS to v2.7.24
 2018-11-13 15:15:09 -05:00
Steve Plimpton 4805e1df22 doc page additions for USER-PLUMED package 2018-11-13 08:29:07 -07:00
Steve Plimpton 380f0e4971 remove some debugging code 2018-11-13 08:06:40 -07:00
Axel Kohlmeyer a026ce9669 correct broken links detected by make mobi 2018-11-12 21:38:26 -05:00
Axel Kohlmeyer 7e779d16de correct broken links in manual reported by 'make html' 2018-11-12 21:33:37 -05:00
Axel Kohlmeyer b776f0f29f remove dead code and silence warnings about unused parameters 2018-11-12 21:11:55 -05:00
Axel Kohlmeyer 443644025f silence compiler warnings 2018-11-12 20:50:14 -05:00
Axel Kohlmeyer c4c90a96ec avoid void return from non-void function 2018-11-12 20:49:01 -05:00
Axel Kohlmeyer 5cb2463204 c++ style include files do not have a .h extension 2018-11-12 20:33:30 -05:00
Axel Kohlmeyer 5a4e44b75a remove accidentally duplicated code 2018-11-12 20:27:21 -05:00
Steve Plimpton 0ca02b6f41 added new commands to doc pages, fixed a few missing entries as well 2018-11-12 17:23:15 -07:00
Stan Moore 2b96dfd6cc Remove deprecated Kokkos code 2018-11-12 15:49:31 -07:00
Stan Moore c22c6e4d34 Add LAMMPS changes to Kokkos Makefile 2018-11-12 15:30:14 -07:00
Stan Moore b2d67bcbb5 Remove tpls dir 2018-11-12 15:18:06 -07:00
Stan Moore b3f08b38a2 Update Kokkos library in LAMMPS to v2.7.24 2018-11-12 15:16:26 -07:00
Axel Kohlmeyer 8e9d4f5bce modify bond style hybrid, so it can handle bond style quartic as a sub-style 2018-11-12 16:06:55 -05:00
Steve Plimpton fe07ad279d added NULL declations to constructor, removed debug code 2018-11-12 12:32:54 -07:00
Steve Plimpton 5062c43aea rename example outputs 2018-11-12 12:32:53 -07:00
Steve Plimpton 90caf0019c fix doc page errors 2018-11-12 12:32:53 -07:00
Steve Plimpton 3b7ebbb8df new hyper examples 2018-11-12 12:32:53 -07:00
Steve Plimpton d7a479d2f6 hyper example dir 2018-11-12 12:32:52 -07:00
Steve Plimpton 0c8ce199af more updates to hyper docs 2018-11-12 12:32:52 -07:00
Steve Plimpton 4a6f088c0b updates to hyper doc pages 2018-11-12 12:32:52 -07:00
Steve Plimpton 56598fcd0b changes to prd command doc page 2018-11-12 12:32:52 -07:00
Steve Plimpton 265c11dca9 more edits to hyper docs 2018-11-12 12:32:52 -07:00
Steve Plimpton d6631266ce doc files in wrong dir 2018-11-12 12:32:52 -07:00