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History Graph
Commit | Author | Details | Committed | ||||
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0262a54ecfeb | Richard Berger | Fix Python 3 compatibility by encoding strings passed as c_char_p | Mar 16 2017 | ||||
3a2da51a8210 | sjplimp/GitHub | Merge pull request #413 from ohenrich/user-cgdna | Mar 15 2017 | ||||
b1c59126f750 | sjplimp/GitHub | Merge pull request #415 from stanmoore1/kk_qeq | Mar 15 2017 | ||||
4c77838514d1 | sjplimp/GitHub | Merge pull request #414 from sstrong99/flow-gauss-doc-addition | Mar 15 2017 | ||||
f9468f46f577 | sjplimp/GitHub | Merge pull request #412 from timattox/master_typofix | Mar 15 2017 | ||||
fdc390ad0548 | Stan Moore | Tweaking docs for Kokkos package | Mar 14 2017 | ||||
580f6b567b12 | Stan Moore | Add neigh/qeq option to Kokkos | Mar 14 2017 | ||||
27b1c33a1680 | Steven Strong | updated the NEMD discussion in the how-to documentation about flow/gauss | Mar 14 2017 | ||||
7a75cd111c3d | Oliver Henrich | Minor updates in documentation and setup tool, merge before upgrade to oxDNA2 | Mar 14 2017 | ||||
23b828793333 | Oliver Henrich | Updated documentation and simple setup tool | Mar 14 2017 | ||||
4cfe623bc17d | Tim Mattox | Correct a typo in the fix_halt.txt documentation. | Mar 11 2017 | ||||
f871ecdc67db | Steve Plimpton | change to RCB cuts in load-balancing commands, also a new option for fix halt | Mar 10 2017 | ||||
470353e32080 | sjplimp/GitHub | Merge pull request #408 from giacomofiorin/colvars-update-2017-03-10 | Mar 10 2017 | ||||
ffe02d20ca83 | sjplimp/GitHub | Merge pull request #406 from stanmoore1/kokkos_bugfix | Mar 10 2017 | ||||
f70752c18f8d | Giacomo Fiorin | Include PDF of Colvars doc missing in previous commit | Mar 10 2017 | ||||
07fcfd6d54a1 | sjplimp/GitHub | Merge pull request #405 from stanmoore1/ev_setup_kk | Mar 10 2017 | ||||
c97feafca6ac | sjplimp/GitHub | Merge pull request #407 from frobnitzem/master | Mar 10 2017 | ||||
b20d95d49548 | sjplimp/GitHub | Merge pull request #402 from timattox/USER-DPD_spelling | Mar 10 2017 | ||||
0b4adaa9e6a1 | Giacomo Fiorin | Backport typo fixes that were not previously pushed to the Colvars repository | Mar 10 2017 | ||||
5fe620663813 | Giacomo Fiorin | Update Colvars module to version 2017-03-10 | Mar 10 2017 | ||||
65964f3b31ea | David M. Rogers | Add error check to lammps_gather_atoms/lammps_scatter_atoms in library.cpp | Mar 9 2017 | ||||
b28b84d444a4 | Stan Moore | Fix half from full nlist issue with Kokkos | Mar 9 2017 | ||||
a001a5ceb0c4 | Stan Moore | Fixing memory overflow issue in comm_kokkos | Mar 9 2017 | ||||
2ef713ea1b49 | Axel Kohlmeyer | restore incorrect change due to spell checking in fix imd | Mar 8 2017 | ||||
1f6c1942b37e | Stan Moore | Disable allocation of per-atom arrays in ev_setup for Kokkos styles | Mar 8 2017 | ||||
683023d8203f | Stan Moore | Adding alloc flag to ev_setup | Mar 8 2017 | ||||
42d3a8f4982d | Tim Mattox | Fix spelling "correction" from 3a054d1a: iterations not interactions. :-) | Mar 7 2017 | ||||
79b005dc3d5f | Steve Plimpton | patch 7Mar17 | Mar 7 2017 | ||||
a2fa6ef4524c | sjplimp/GitHub | Merge pull request #393 from akohlmey/small-bugfixes | Mar 7 2017 | ||||
920641bbffbc | sjplimp/GitHub | Merge pull request #399 from rbberger/docs_spelling_fixes | Mar 7 2017 | ||||
c2aabdec229c | sjplimp/GitHub | Merge pull request #398 from stanmoore1/kokkos_changes | Mar 7 2017 | ||||
e4aa735a6809 | sjplimp/GitHub | Merge pull request #395 from timattox/USER-DPD_bugfix | Mar 7 2017 | ||||
4af6557568e7 | sjplimp/GitHub | Merge pull request #394 from jaapkroe/kolmogorov-crespi | Mar 7 2017 | ||||
0798885bdb2a | sjplimp/GitHub | Merge pull request #389 from akohlmey/update-agni-potential | Mar 7 2017 | ||||
020e75e7efff | sjplimp/GitHub | Merge pull request #386 from akohlmey/doc-consistentcy | Mar 7 2017 | ||||
d6866f1cfdd7 | sjplimp/GitHub | Merge pull request #376 from v0i0/airebo-bondorderLJ-fixes | Mar 7 2017 | ||||
efaa4c67109f | Steve Plimpton | new neigh_modify exclude option, other SNAP changes | Mar 7 2017 | ||||
08baaa9d8ede | Richard Berger | Fix more typos in tools | Mar 7 2017 | ||||
359af419a7ab | Richard Berger | Fix typo in python README | Mar 7 2017 | ||||
21be86c42393 | Richard Berger | Fix typos in txt2html | Mar 7 2017 | ||||
d6800405a518 | Richard Berger | Fix more typos in examples | Mar 7 2017 | ||||
3a054d1a82b2 | Richard Berger | Fix more typos in src files | Mar 7 2017 | ||||
007f3c66a033 | Richard Berger | Third batch of spelling fixes in manual | Mar 7 2017 | ||||
32708860a9fa | Richard Berger | Add remaining false positives | Mar 7 2017 | ||||
fc9eebb9367c | Richard Berger | Added spellcheck utility to documentation build | Mar 6 2017 | ||||
dd76ac5010ae | Richard Berger | Fix typos in tools folder | Mar 6 2017 | ||||
17486a9319f8 | Richard Berger | Convert USER/lb/polymer files to UNIX line endings and remove trailing… | Mar 6 2017 | ||||
778a79b8eef7 | Richard Berger | Fix typos in examples folder | Mar 6 2017 | ||||
7dd60f97377a | Richard Berger | Fix typos in src files | Mar 6 2017 | ||||
084d831bce01 | Richard Berger | Second batch of spelling fixes in manual | Mar 6 2017 | ||||
e261bef7bba7 | Richard Berger | Spelling fixes in source files | Mar 6 2017 | ||||
fd78486086d9 | Richard Berger | First batch of spelling fixes in manual | Mar 6 2017 | ||||
6382d3c89a2f | Stan Moore | Improving memory access in comm_kokkos | Mar 3 2017 | ||||
763a00e8b02e | Tim Mattox | USER-DPD: pair_multi_lucy_rx bugfix for systems with multiple atom types | Mar 3 2017 | ||||
ce1a3f25e193 | Axel Kohlmeyer | Merge branch 'pair_write_fix' of https://github.com/andeplane/lammps into small… | Mar 3 2017 | ||||
eaf7ed770750 | Anders Hafreager | Print error if pair_write does not get correct number of arguments | Mar 3 2017 | ||||
9a560b90914c | Tim Mattox | USER-DPD bugfix: make atom_vec_dpd work properly with atom_vec_hybrid. We were… | Mar 1 2017 | ||||
8a0e44db83de | Jaap Kroes | updated documentation and ev_tally | Mar 1 2017 | ||||
1dc78a7e58c8 | Tim Mattox | USER-DPD: correct off-by-one errors in PairMultiLucyRX::coeff() | Feb 28 2017 | ||||
7a593c2fc886 | Tim Mattox | USER-DPD: correct off-by-one errors in PairTableRX::coeff() | Feb 28 2017 | ||||
3ac74a1d6995 | Axel Kohlmeyer | update lammps.book file for latest doc changes | Feb 28 2017 | ||||
3605208a45bb | Axel Kohlmeyer | add a few more missing details for integrating pair style kolmogorov/crespi/z | Feb 28 2017 | ||||
9b01949cacfc | Axel Kohlmeyer | make the introduction of the command-by-category list less confusing | Feb 28 2017 | ||||
323570c92036 | Jaap Kroes | added jpg for kolmogorov-crespi-z equations and fixed hybrid/overlay check in… | Feb 28 2017 | ||||
df13a7a00382 | Jaap Kroes | email added | Feb 28 2017 | ||||
a1b40b902d3e | Jaap Kroes | Added Kolmogorov-Crespi potential | Feb 28 2017 | ||||
b921b69f4792 | Axel Kohlmeyer | implement bugfix from issue #388 | Feb 28 2017 | ||||
c0cf50bce551 | Axel Kohlmeyer | trigger recomputing ichunk between runs unless requested otherwise | Feb 28 2017 | ||||
2708c8683626 | Axel Kohlmeyer | fix typos: moleclue -> molecule | Feb 28 2017 | ||||
9999f363a1f8 | Axel Kohlmeyer | remove outdated log files, too. | Feb 24 2017 | ||||
a18b4ef4b0cf | Axel Kohlmeyer | update AGNI potential for Al, reference runs and output and citation | Feb 24 2017 | ||||
3626496c7c6a | Oliver Henrich | Corrected comment in 3' to 5' directionality check | Feb 22 2017 | ||||
458b6749e7b6 | Oliver Henrich | Corrected comment in 3' to 5' directionality check. | Feb 22 2017 | ||||
20a9ffe69dfd | Axel Kohlmeyer | improve consistency and resolve dead links for USER-CGDNA related doc files | Feb 22 2017 | ||||
49e83b434800 | Steve Plimpton | patch 21Feb17 sync with GHub | Feb 22 2017 | ||||
6e89ccd522f5 | sjplimp/GitHub | Merge pull request #385 from akohlmey/collected-small-bugfixes | Feb 21 2017 | ||||
53f3df5bfc94 | sjplimp/GitHub | Merge pull request #384 from lammps/another_neigh_refactor | Feb 21 2017 | ||||
3dbbea342a3b | Steve Plimpton | remove a debug print line | Feb 21 2017 | ||||
b70c670aac56 | sjplimp/GitHub | Merge pull request #383 from stanmoore1/rshan_class2_kk | Feb 21 2017 | ||||
1d17cae407ff | sjplimp/GitHub | Merge pull request #382 from timattox/master_kokkos_neigh_bugfix | Feb 21 2017 | ||||
429264a12bac | sjplimp/GitHub | Merge pull request #380 from hheenen/core_shell_documentation | Feb 21 2017 | ||||
d001a093455b | sjplimp/GitHub | Merge pull request #379 from ndtrung81/pppm-gpu-compute-group-group | Feb 21 2017 | ||||
cb9d42da0896 | sjplimp/GitHub | Merge pull request #378 from timattox/USER-DPD_ssa_update | Feb 21 2017 | ||||
7185ec92b3f0 | sjplimp/GitHub | Merge pull request #377 from stanmoore1/kokkos_update | Feb 21 2017 | ||||
1cd4c48cccdb | Steve Plimpton | new SNAP potential for W | Feb 21 2017 | ||||
a88136c3f50d | Axel Kohlmeyer | correct a logic bug in fix wall/gran/region | Feb 17 2017 | ||||
ce20c7ffe911 | Axel Kohlmeyer | remove debug code | Feb 17 2017 | ||||
4a80df3a99b8 | Steve Plimpton | more neighbor list changes, some new options | Feb 16 2017 | ||||
5f93fad012d8 | Stan Moore | Add copymode protection to class2 styles | Feb 15 2017 | ||||
ccaec315db31 | Stan Moore | Updating docs for Kokkos class2 | Feb 15 2017 | ||||
c6c1852b3b1a | Stan Moore | Fix a few issues with Kokkos class2 files | Feb 15 2017 | ||||
69a8e19dc5eb | Stan Moore | Add files from Ray Shan for Kokkos version of class2 angle, bond, etc. | Feb 15 2017 | ||||
928947dcea24 | Tim Mattox | neighbor_kokkos.cpp: Don't call grow() on neighbor lists that are copies. This… | Feb 15 2017 | ||||
904609a7a3a5 | Markus Hoehnerbach | Fixed issue with switching function derivative in PairAIREBO::FLJ | Feb 15 2017 | ||||
fc3505fac47d | Markus Hoehnerbach | Fixed a number of issues after verifying against the KIM version | Feb 15 2017 | ||||
48070011d9b7 | Axel Kohlmeyer/GitHub | update names in example, too | Feb 14 2017 | ||||
0fb8dacc00f8 | Axel Kohlmeyer/GitHub | one more Finchham to Fincham change | Feb 14 2017 | ||||
6b923476b96c | Hendrik Heenen | updated documentation and examples for coreshell | Feb 14 2017 | ||||
20806dd86acf | Trung Nguyen | Fixed bugs with pppm/gpu when used with compute group/group | Feb 14 2017 | ||||
90e5ae965d7f | Stan Moore | Add missing flags to Kokkos Makefile | Feb 13 2017 |
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