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History Graph
Commit | Author | Details | Committed | ||||
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efaa8feab591 | sjplimp/GitHub | Merge pull request #239 from akohlmey/static-analysis-fixes | Oct 25 2016 | ||||
ad5f7c458196 | sjplimp/GitHub | Merge pull request #238 from giacomofiorin/colvars-2016-10-24 | Oct 25 2016 | ||||
6b334991352b | sjplimp/GitHub | Merge pull request #231 from akohlmey/collected-doc-fixes | Oct 25 2016 | ||||
63eada242554 | Axel Kohlmeyer | fix issue with docs for orientorder/atom compute reported by @andeplane | Oct 25 2016 | ||||
1a436bd7a9bb | Axel Kohlmeyer | Merge branch 'collected-doc-fixes' of github.com:akohlmey/lammps into collected… | Oct 25 2016 | ||||
52dd9aee5fe6 | Axel Kohlmeyer | Merge branch 'master' into collected-doc-fixes | Oct 25 2016 | ||||
eca96e21ef25 | Steve Plimpton | Merge branch 'doc' | Oct 25 2016 | ||||
9c81ad1ab6e3 | Steve Plimpton | doc page changes | Oct 25 2016 | ||||
f8367e3d0fee | Axel Kohlmeyer | update documentation pdf for updated colvars lib | Oct 24 2016 | ||||
ba6d1528bb17 | Axel Kohlmeyer | Merge branch 'colvars-2016-10-24' of https://github.com/giacomofiorin/lammps… | Oct 24 2016 | ||||
182141b85005 | Giacomo Fiorin | Make SMP parallelism for Colvars optional | Oct 24 2016 | ||||
512c413b7ead | Axel Kohlmeyer | whitespace cleanup | Oct 24 2016 | ||||
7b89e47a38d5 | Axel Kohlmeyer | apply corrections to issues reported by static code analysis | Oct 24 2016 | ||||
e02505c8cc33 | Giacomo Fiorin | Add ensemble-biased metadynamics (Fabrizio Marinelli, NIH) | Oct 24 2016 | ||||
be2d155cef25 | Giacomo Fiorin | Minor changes and fixes not relevant to LAMMPS | Oct 24 2016 | ||||
c2430939809e | Giacomo Fiorin | Fix wall forces and subtractAppliedForce for extended-Lagrangian ABF | Oct 24 2016 | ||||
ad57a17f48c8 | Giacomo Fiorin | Add C-linkage wrapper for colvarscript (useful with ctypes) | Oct 24 2016 | ||||
477ddaf1125b | sjplimp/GitHub | Merge pull request #232 from akohlmey/small-bugfixes | Oct 24 2016 | ||||
4f69d91a99dc | sjplimp/GitHub | Merge pull request #230 from akohlmey/manual-in-ebook-format | Oct 24 2016 | ||||
bc4498800319 | Axel Kohlmeyer | correct typo in write_dump docs | Oct 23 2016 | ||||
db36c8bcc31e | Axel Kohlmeyer | stop with error, if molecule command requires special bond auto-generation… | Oct 21 2016 | ||||
991034b632c7 | Axel Kohlmeyer | have bond style table exit when bond length is outside table range | Oct 21 2016 | ||||
607246f92310 | Axel Kohlmeyer | ignore mobi file as well | Oct 21 2016 | ||||
6742fb634aa9 | Axel Kohlmeyer | remove mobi file format creation from makefile and explain it in README instead | Oct 21 2016 | ||||
ed3f02f24944 | Axel Kohlmeyer | ignore generated PDF and ePUB files | Oct 21 2016 | ||||
a2e34aab0a8c | Axel Kohlmeyer | make certain, that atom->maxspecial is incremented with extra special space | Oct 21 2016 | ||||
6cd6c106efeb | Axel Kohlmeyer | Merge branch 'collected-small-changes' into collected-doc-fixes | Oct 21 2016 | ||||
a9572275eeb0 | Axel Kohlmeyer | Revert "support generation of manual in ePUB format" | Oct 20 2016 | ||||
2cf77ff778ef | Axel Kohlmeyer | Add support for ebook generation in ePUB and mobi format | Oct 20 2016 | ||||
f022f6d88ad2 | Axel Kohlmeyer | fix various formatting and broken link issues identified by ebook-convert | Oct 20 2016 | ||||
8c3f5cb30700 | Axel Kohlmeyer | support generation of manual in ePUB format | Oct 20 2016 | ||||
e8359923f1e4 | Axel Kohlmeyer | update packages section in manual with information about USER-NC-DUMP | Oct 19 2016 | ||||
d2da0fabb43c | Axel Kohlmeyer | Version 20 Oct 2016 | Oct 19 2016 | ||||
9954d5d34668 | Steve Plimpton | forgot pair table change | Oct 19 2016 | ||||
3d254780de85 | Steve Plimpton | Merge branch 'master' of github.com:lammps/lammps | Oct 19 2016 | ||||
b0cf1ded38ab | sjplimp/GitHub | Merge pull request #229 from akohlmey/small-corrections | Oct 19 2016 | ||||
0891ed83a52f | sjplimp/GitHub | Merge pull request #228 from akohlmey/correct-prd-for-bigbig | Oct 19 2016 | ||||
ffb8eb36da4b | Axel Kohlmeyer | Revert "recognize any word starting with FP as FPRIME style table" | Oct 19 2016 | ||||
1a108572441d | Axel Kohlmeyer | make PRD code compatible with -DLAMMPS_BIGBIG | Oct 19 2016 | ||||
263446867664 | Axel Kohlmeyer | dead code removal | Oct 19 2016 | ||||
58141e0559cb | Steve Plimpton | text edit | Oct 19 2016 | ||||
393337e7cfa2 | sjplimp/GitHub | Merge pull request #226 from akohlmey/pair-gauss-mixing | Oct 19 2016 | ||||
e0ed218cc496 | sjplimp/GitHub | Merge pull request #224 from akohlmey/get-vars | Oct 19 2016 | ||||
efc7b23bd863 | sjplimp/GitHub | Merge pull request #216 from akohlmey/user-nc-dump | Oct 19 2016 | ||||
566effc9c961 | Axel Kohlmeyer | account for new fix halt properly in PDF and online docs | Oct 19 2016 | ||||
86f5b5113344 | Axel Kohlmeyer | recognize any word starting with FP as FPRIME style table | Oct 19 2016 | ||||
ccca642b3ae6 | Axel Kohlmeyer | fix typo | Oct 19 2016 | ||||
019bc0ba0be2 | Axel Kohlmeyer | fix typos in Makefile.lammps for NetCDF support | Oct 19 2016 | ||||
7b7cb297e6be | Axel Kohlmeyer | add mixing for pair styles gauss and gauss/cut contributed by andrew jewett. | Oct 19 2016 | ||||
13ce1037f23d | Axel Kohlmeyer | Version 18 Oct 2016 | Oct 18 2016 | ||||
5a6dea7a2217 | Axel Kohlmeyer | Merge branch 'master' into user-nc-dump | Oct 18 2016 | ||||
27796b431ee5 | Axel Kohlmeyer | avoid distracting error output | Oct 18 2016 | ||||
2106dce2b382 | Steve Plimpton | new fix halt command, other sundry small bug fixes | Oct 18 2016 | ||||
6e54443d8c19 | Axel Kohlmeyer | make plain nc dump style a compile time option as well | Oct 18 2016 | ||||
2b47fa66533e | Axel Kohlmeyer | update Makefile.lammps and add README according to suggestions by lars pastewka | Oct 18 2016 | ||||
713b2af067cb | sjplimp/GitHub | Merge pull request #221 from akohlmey/collected-bugfixes | Oct 18 2016 | ||||
ae77664bddd5 | Axel Kohlmeyer | forgot to include USER-NC-DUMP in PACKUSER variable | Oct 18 2016 | ||||
4502d3276be4 | Axel Kohlmeyer | updated Makefile.lammps for NetCDF support based on suggestions from lars… | Oct 18 2016 | ||||
a752966eefec | Axel Kohlmeyer | Merge branch 'collected-bugfixes' of github.com:akohlmey/lammps into collected… | Oct 18 2016 | ||||
1f7693faf289 | Axel Kohlmeyer | fix typo | Oct 18 2016 | ||||
2c5ea9fc61e4 | Axel Kohlmeyer | reapply changes to the timer class that got lost somehow | Oct 18 2016 | ||||
3e88fb535547 | Axel Kohlmeyer | Merge branch 'master' into collected-bugfixes | Oct 18 2016 | ||||
6eadd45c4567 | Steve Plimpton | Merge branch 'halt2' | Oct 18 2016 | ||||
003581c6a80c | Steve Plimpton | final changes to fix halt | Oct 18 2016 | ||||
1f1c87235a07 | Axel Kohlmeyer | add support for "error continue" option, which resets the timer timeout setting… | Oct 18 2016 | ||||
394c3bb50453 | Axel Kohlmeyer | add Timer::reset_timeout() API, that allows restoring the previous timeout… | Oct 18 2016 | ||||
954d536826ee | Steve Plimpton | added bondmax method to fix halt | Oct 18 2016 | ||||
c5513c4f7503 | Axel Kohlmeyer | provide an accessor for names of LAMMPS variables | Oct 18 2016 | ||||
e4ff8128f1b2 | Axel Kohlmeyer | fix typo | Oct 16 2016 | ||||
e7825ba21a0b | Axel Kohlmeyer | import fix halt prototype code with corrections for soft exit | Oct 15 2016 | ||||
e77e1f6b8ea6 | Axel Kohlmeyer | replace complex solution to implement a soft exit with simpler one | Oct 15 2016 | ||||
909ec2c09658 | Axel Kohlmeyer | remove unused class members | Oct 14 2016 | ||||
f67975fd8adf | Axel Kohlmeyer | apply proper initialization and remove redundant variable declaration | Oct 14 2016 | ||||
deceb9d5c6a4 | Axel Kohlmeyer | remove assignment without effect | Oct 14 2016 | ||||
c9c66ca0bd1a | Axel Kohlmeyer | replace unsafe code | Oct 14 2016 | ||||
d07703efff5c | Axel Kohlmeyer | re-apply bugfix from two years ago | Oct 14 2016 | ||||
411ecca8df96 | Axel Kohlmeyer | plug memory leak | Oct 14 2016 | ||||
fa984b2c3bbd | Axel Kohlmeyer | Version 13 Oct 2016 | Oct 14 2016 | ||||
d11363c7eb76 | sjplimp/GitHub | Merge pull request #220 from rbberger/fix-doc-makefile | Oct 14 2016 | ||||
5aefb2a88232 | sjplimp/GitHub | Merge pull request #219 from akohlmey/python-no-double-load | Oct 14 2016 | ||||
40f2310a2ab5 | sjplimp/GitHub | Merge pull request #218 from timattox/USER-DPD_fix_rx_init_bugfix | Oct 14 2016 | ||||
2c8a7a318a4a | Steve Plimpton | bug fix for fix GCMC w/ fix shake, enhance of fix wall/gran/region with… | Oct 14 2016 | ||||
95cca1bd9f63 | Richard Berger | Allow building other targets without Python3 and virtualenv | Oct 13 2016 | ||||
0b426dadc1d1 | Axel Kohlmeyer | do not require the LAMMPS shared library when loading the python wrapper from… | Oct 13 2016 | ||||
fcb52710267a | Tim Mattox | USER-DPD: Initialize the dpdThetaLocal array consistently in fix_rx | Oct 12 2016 | ||||
4958e114bac6 | Tim Mattox | USER-DPD bugfix: Properly initialize the local temperature averaging array. | Oct 12 2016 | ||||
63e71cd45b27 | Steve Plimpton | patch to add DPD-VV | Oct 12 2016 | ||||
4a5d9eaae23c | sjplimp/GitHub | Merge pull request #217 from akohlmey/small-fixes | Oct 12 2016 | ||||
4e3a55047f0e | sjplimp/GitHub | Merge pull request #215 from timattox/USER-DPD_bugfix_for_dtsqrt | Oct 12 2016 | ||||
f8a26dd158ff | Axel Kohlmeyer | update Timer::force_timeout() to trigger at next loop iteration | Oct 12 2016 | ||||
2e8edbd2b973 | Axel Kohlmeyer | USER-SMD was missing from PACKLIB variable | Oct 12 2016 | ||||
da66c1e649bb | Axel Kohlmeyer | update #include directives to match current LAMMPS coding conventions | Oct 12 2016 | ||||
c24bf512f31a | Axel Kohlmeyer | update #include statements for system includes | Oct 12 2016 | ||||
6b4ab0a39044 | Axel Kohlmeyer | update .gitignore | Oct 12 2016 | ||||
adc98e07df5d | Axel Kohlmeyer | whitespace cleanup in USER-DPD | Oct 12 2016 | ||||
39a22039e918 | Axel Kohlmeyer | correct broken link | Oct 12 2016 | ||||
e10ea91c5f42 | Axel Kohlmeyer | add doc file to toctree | Oct 12 2016 | ||||
b75860048bd7 | Axel Kohlmeyer | updates for recent changes to the manual | Oct 12 2016 | ||||
69cb83170599 | Axel Kohlmeyer | import dump nc and dump nc/mpiio from lammps-netcdf as USER-NC-DUMP package by… | Oct 12 2016 | ||||
ecb03dd2dfda | Axel Kohlmeyer | import lammps-netcdf code as USER-NC-DUMP package | Oct 12 2016 |
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