lammps/docmaster
lammps/doc
master
History Graph
History Graph
Commit | Author | Details | Committed | |||
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1fc2eb1e3e4b | Steve Plimpton | fix issue with rRESPA inner/middle neighbor lists | Jun 21 2017 | |||
87c028ed0237 | Steve Plimpton | patch 20Jun17 | Jun 20 2017 | |||
50c9167913d6 | Axel Kohlmeyer | small formatting correction in fix neb docs | Jun 20 2017 | |||
d2610d9e7c0d | Steve Plimpton | minor changes to NEB doc pages and examples | Jun 20 2017 | |||
9d3e34e4922c | Axel Kohlmeyer | add missing reference for lj/smooth/linear | Jun 19 2017 | |||
8988b692a392 | Emile Maras | modified the documentation, first and last freeend can have different spring… | Jun 19 2017 | |||
cd88b31450c3 | Steve Plimpton | same PR, also has cosmetic changes to new fix neb options | Jun 17 2017 | |||
9b9f6d6fe2f4 | Steve Plimpton | USER-INTEL upgrade from M Brown | Jun 17 2017 | |||
d3c90f3c14dd | sjplimp/GitHub | Merge pull request #510 from akohlmey/collected-small-changes | Jun 15 2017 | |||
1a29048940e9 | sjplimp/GitHub | Merge pull request #531 from ohenrich/user-cgdna | Jun 15 2017 | |||
7227bc415d00 | sjplimp/GitHub | Merge pull request #526 from andeplane/vashishta_gpu | Jun 15 2017 | |||
30177c4eaeb0 | sjplimp/GitHub | Merge pull request #521 from pastewka/17_dump_nc | Jun 15 2017 | |||
576b7f1d97b7 | sjplimp/GitHub | Merge pull request #519 from Pakketeretet2/USER-MANIFOLD-gaussian-bump | Jun 15 2017 | |||
86369fec6bab | sjplimp/GitHub | Merge pull request #517 from akohlmey/select-rigid-reinit-option | Jun 15 2017 | |||
9a7207e34cb4 | sjplimp/GitHub | Merge pull request #511 from akohlmey/add-compute-cnp | Jun 15 2017 | |||
3c7417fb598d | sjplimp/GitHub | Merge pull request #497 from lammps/add-user-reaxc-omp | Jun 15 2017 | |||
34cfc7bd514b | sjplimp/GitHub | Merge pull request #490 from EmileMaras/NEB-Change | Jun 15 2017 | |||
77ca68a2b4da | Oliver Henrich | Changed affiliation | Jun 15 2017 | |||
e139a7fd4549 | Anders Hafreager | Updated docs for vashishta/gpu | Jun 14 2017 | |||
daa77176add6 | Axel Kohlmeyer | add restart support to fix deform. only "initial" data is restored and some… | Jun 10 2017 | |||
a849f35dcdd3 | Axel Kohlmeyer | adjust compute cnp/atom to match the documentation. need to skip atoms not in… | Jun 10 2017 | |||
c81bc108f9ae | Lars Pastewka | DOC: Updated dump_modify and dump netcdf documentation. | Jun 8 2017 | |||
1f9504c54622 | Axel Kohlmeyer | some more bookkeeping updates triggered by the lj/sf style removal | Jun 6 2017 | |||
5cb56796a22f | Axel Kohlmeyer | alias pair style lj/sf to lj/smooth/linear and remove/update related files | Jun 6 2017 | |||
cd67eaa5f42a | Axel Kohlmeyer | update e-mail and affiliation for stefan paquay in USER-MANIFOLD related files | Jun 6 2017 | |||
18dee3f78ed2 | Stefan Paquay | Added Gaussian bump. Updated e-mail address. | Jun 6 2017 | |||
06c8e95774cc | Emile Maras | corrected the fix_neb documentation | Jun 6 2017 | |||
46c5cbae8f3a | Axel Kohlmeyer | update rigid fix documentation for added `reinit` keyword | Jun 6 2017 | |||
ff58ccac2870 | Axel Kohlmeyer | add clarification to impact of special bonds to manybody potentials | Jun 5 2017 | |||
e03cc994673e | Emile Maras | made the command options more lammps standard style | Jun 2 2017 | |||
af5f19604cce | Axel Kohlmeyer | remove no longer correct sentence from set command docs | Jun 1 2017 | |||
302599640791 | Axel Kohlmeyer | Merge branch 'master' into add-user-reaxc-omp | May 31 2017 | |||
85e917ae5200 | Axel Kohlmeyer | integrate compute cnp/atom contributed by Paulo Branicio (USC) | May 31 2017 | |||
167a51538e16 | Axel Kohlmeyer | support atom style variables for assigning image flags with the set command | May 31 2017 | |||
cace3e3530cb | Stefan Paquay | Added missing :pre to doc/src/fix_adapt.txt | May 30 2017 | |||
286d4f2743f8 | sjplimp/GitHub | Merge pull request #506 from lammps/snap | May 30 2017 | |||
952b18fc0284 | sjplimp/GitHub | Merge pull request #494 from rbberger/small_updates | May 30 2017 | |||
22fdb1fc1407 | Steve Plimpton | SNAP changes by Aidan | May 30 2017 | |||
de446ace2fec | Axel Kohlmeyer | Merge branch 'user-manifold-doc-fix' of https://github.com/Pakketeretet2/lammps… | May 27 2017 | |||
2055110e05d0 | Stefan Paquay | Fixed typo in dox. | May 26 2017 | |||
c3f6e27bfe2e | Axel Kohlmeyer | augment documentation for newly added multi-threaded reax/c styles | May 25 2017 | |||
ead05f81c09c | Axel Kohlmeyer | Merge branch 'pair_morse_soft-doc-fix' of https://github. | May 24 2017 | |||
4f9e7cbd161f | Stefan Paquay | Cleaned up docs for pair_mores, a missing :pre ruined formatting. | May 24 2017 | |||
06a4f47a4c37 | Richard Berger | Merge remote-tracking branch 'upstream/master' into small_updates | May 22 2017 | |||
97d3c843c44a | Axel Kohlmeyer | small documentation fixes to fix typos and formatting issues | May 21 2017 | |||
aca16745e4cc | Axel Kohlmeyer | restore spelling fix and semantic fix from upstream | May 19 2017 | |||
a5110d81ea61 | Axel Kohlmeyer | correct a bunch of documentation formatting issues for updated neb and fix neb… | May 19 2017 | |||
2225fce94eee | Steve Plimpton | patch 19May17 | May 19 2017 | |||
9593e05c9ec5 | Richard Berger | Force PDF documentation build to fail on first error | May 19 2017 | |||
8751850ecaa8 | Axel Kohlmeyer | a few formatting fixes for pair style python | May 19 2017 | |||
d4ee03c778df | Emile Maras | changed doc links | May 18 2017 | |||
b28ecd44c25d | Steve Plimpton | update docs before patch release | May 18 2017 | |||
6ac9b7a1b070 | sjplimp/GitHub | Merge pull request #482 from akohlmey/add-pair-python | May 18 2017 | |||
5d38cbbce9c6 | sjplimp/GitHub | Merge pull request #487 from akohlmey/pair_edip_multi_element | May 18 2017 | |||
aa09f45b7e1e | sjplimp/GitHub | Merge pull request #484 from akohlmey/add-gao-weber-styles | May 18 2017 | |||
683f3d9d2ac3 | sjplimp/GitHub | Merge pull request #481 from akohlmey/collected-small-changes | May 18 2017 | |||
8daba0115142 | Emile Maras | some small formating change but does not work anymore | May 18 2017 | |||
640edbc1d40e | Emile Maras | added several features to the NEB | May 18 2017 | |||
bd11479a1688 | Axel Kohlmeyer | lock the sphinx command to version 1.5.6, since version 1.6.x seems to break… | May 18 2017 | |||
24654ad28f37 | Axel Kohlmeyer | small formatting corrections to pair python style | May 18 2017 | |||
9725708b90b9 | Axel Kohlmeyer | update pair style python docs | May 18 2017 | |||
1d48f287f00a | Axel Kohlmeyer | add partial documentation for pair style python | May 18 2017 | |||
278b9f7fba47 | Axel Kohlmeyer | move pair gw and gw/zbl to USER-MISC package | May 17 2017 | |||
085f3afdfb08 | Axel Kohlmeyer | fix typo in docs | May 17 2017 | |||
597f95fb1b29 | Axel Kohlmeyer | fix duplicate reference | May 16 2017 | |||
7f9a331c7355 | Steve Plimpton | bugfix for 2 recenty reported neighbor issues, also a ReaxFF fix species issue | May 16 2017 | |||
35e92733e9da | Axel Kohlmeyer | import multi-element compatible pair style edip as edip/multi | May 16 2017 | |||
66084ad1f41a | Axel Kohlmeyer | fix typo in rerun docs. closes #486 | May 16 2017 | |||
c5db3ff40126 | Axel Kohlmeyer | two small doc corrections from Andrew Jewett for pair style gauss and dihedral… | May 13 2017 | |||
b6a70ec6fd74 | Richard Berger | fixup docs after last change | May 12 2017 | |||
c4d0f0709331 | Richard Berger | Allow fix python to only execute every N steps | May 12 2017 | |||
93f603306126 | Richard Berger | Add documentation about fix python | May 12 2017 | |||
27a6371f9b52 | Axel Kohlmeyer | implement a `python source` command as suggested in issue #454 | May 12 2017 | |||
998eb44e836f | sjplimp/GitHub | Merge pull request #473 from akohlmey/compress-for-reaxc-fixes | May 11 2017 | |||
96d1de857539 | sjplimp/GitHub | Merge pull request #471 from akohlmey/fix-4may2017-issues | May 11 2017 | |||
deff6ffaac3b | sjplimp/GitHub | Merge pull request #466 from DallasTrinkle/meam-spline-multicomponent | May 11 2017 | |||
abeb1e096ab6 | Axel Kohlmeyer | add support for gzip compressed output to fix reax/bonds, reax/c/bonds and… | May 10 2017 | |||
29ae8d4ca3b9 | Axel Kohlmeyer | correct broken links and references in documentation | May 9 2017 | |||
08ec55743e47 | Steve Plimpton | neighbor list bugfix to prevent cycle in copy lists | May 9 2017 | |||
f8af7edf927b | Richard Berger | Merge remote-tracking branch 'upstream/master' into python_refactoring | May 6 2017 | |||
51c6d502687b | Steve Plimpton | patch 4May17 | May 4 2017 | |||
dcc5472cba99 | sjplimp/GitHub | Merge pull request #452 from akohlmey/small-fixes-and-updates | May 4 2017 | |||
addd87c0f7a4 | Steve Plimpton | new Section package and start doc pages and build scripts | May 4 2017 | |||
7f49ee8fd747 | Axel Kohlmeyer | print warning about minimization energy with fix box/relax | May 3 2017 | |||
8bddf105bf7a | DallasTrinkle | Updated version of equations, documentation. | Apr 29 2017 | |||
31446e35b9b4 | DallasTrinkle | Cleanup on equations; JPG to be constructed. | Apr 28 2017 | |||
9bdc43bb66ee | DallasTrinkle | Updates to pair/meam/spline documentation. | Apr 28 2017 | |||
a0b61d17b56a | DallasTrinkle | Updates to documentation: equation. | Apr 28 2017 | |||
af748745162c | Axel Kohlmeyer | rename references to USER-CG-CMM to USER-CGSDK | Apr 27 2017 | |||
8f9cb3590a32 | Axel Kohlmeyer | correct units for some improper force constants in docs | Apr 26 2017 | |||
ddc1e4e86ea7 | Axel Kohlmeyer | detect and refuse to run pair style srp together with fix rigid | Apr 25 2017 | |||
396e0b54234d | Axel Kohlmeyer | correct broken link in html bond doc overview | Apr 21 2017 | |||
4e411364ffa4 | Axel Kohlmeyer | add support to pair_modify to selectively disable compute/tally callbacks in… | Apr 21 2017 | |||
dfa9815246c3 | Axel Kohlmeyer | update for fix gle docs from michele ceriotti | Apr 18 2017 | |||
481927ff16ed | Axel Kohlmeyer | correct 'thrid' instead of 'third' | Apr 17 2017 | |||
dd90c860ee62 | Axel Kohlmeyer | refactor msi2lmp documentation to emphasize lack of active development | Apr 17 2017 | |||
c9bc14133537 | Axel Kohlmeyer | remove doc text explaining restrictions that are lifted with the changes in… | Apr 14 2017 | |||
2f32fb7f8bda | Steve Plimpton | patch 13Apr17 | Apr 13 2017 | |||
4da8c1c4e2be | Steve Plimpton | patch 11Apr17 | Apr 11 2017 | |||
49dd9449b875 | Steve Plimpton | fix gcmc updates from Aidan, trimming of output for replica commands | Apr 11 2017 |
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