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Diffusion lammps (master) Graph

lammps/doc
master

History Graph

CommitAuthorDetailsCommitted
52bec0f380ddSteve Plimpton
patch 10Aug17 
Aug 11 2017
c8741f3a01a2Axel Kohlmeyer
remove special_bonds extra keyword and refer to read_data and create_box instead 
Aug 10 2017
da01be7c1857Giacomo Fiorin
More robust change from initial to target restraint centers in Colvars 
Aug 10 2017
f9a515efd37dAxel Kohlmeyer
add some remarks about makefile settings on windows 
Aug 10 2017
5b557442093cAxel Kohlmeyer
fix a header line formatting issue 
Aug 10 2017
f01103dd0885Axel Kohlmeyer
correctly use the term CUDA (instead of Cuda) when not referring to the KOKKOS… 
Aug 10 2017
81f4d7ecb535Axel Kohlmeyer
rework section 4 (Packages) in the manual to match Install.py scripts 
Aug 10 2017
0a54c34e34c2Steve Plimpton/GitHub
Merge pull request #600 from akohlmey/install-and-docs-reviewed 
Aug 7 2017
e0f9a7c34c39Richard Berger
Adds BOW tutorial link in main menu 
Aug 7 2017
aaf17bde3ff9Richard Berger
Added tutorial for using LAMMPS in Bash on Windows 
Aug 7 2017
5ad8a3332dfcAxel Kohlmeyer/GitHub
Merge pull request #55 from GarrettTow/patch-1 
Aug 5 2017
ca7a3a6316ddGarrettTow/GitHub
Fixed typo in "compute_voronoi_atom.txt" 
Aug 4 2017
59ac6ef57357Axel Kohlmeyer
correct a link and a name for OpenKIM 
Aug 4 2017
2fa16bcd4ca9Axel Kohlmeyer
make overlapping links to references unique to avoid anchor label errors 
Aug 4 2017
96d37128170fRichard Berger
Add missing link flag 
Jul 31 2017
b395ef00b446Richard Berger
Update tutorial_pylammps.txt 
Jul 31 2017
e7d9aabca6baAxel Kohlmeyer
Merge branch 'kim-install' into install-and-docs-reviewed 
Jul 28 2017
72419b631313Axel Kohlmeyer
Merge remote-tracking branch 'github/kim-doc' into install-and-docs-reviewed 
Jul 27 2017
da7a5f55d3e4Axel Kohlmeyer
Merge branch 'kim-install' into install-and-docs-reviewed 
Jul 27 2017
934cbbbecaffSteve Plimpton
restore lost KIM doc section in Section packages 
Jul 27 2017
a59b7e4d5647Steve Plimpton
patch 24Jul17 
Jul 24 2017
3449d4226701Axel Kohlmeyer
include pair style kim doc changes that were accidentally included in PR #590 
Jul 20 2017
551001f172a3Axel Kohlmeyer
revert change, that is part of the kim-install branch and changeset 
Jul 20 2017
59db5f6a1782Steve Plimpton
update of Fortran-DFTB interface to be compatible with fix msst 
Jul 20 2017
3cd597e948fasjplimp/GitHub
Merge pull request #585 from akohlmey/make-py-manual-cleanup 
Jul 20 2017
eca61226c267sjplimp/GitHub
Merge pull request #583 from giacomofiorin/colvars-update-2017-07-19 
Jul 20 2017
fac3e3daa237sjplimp/GitHub
Merge pull request #581 from libAtoms/idces2quip 
Jul 20 2017
a351977c5904Axel Kohlmeyer
update manual links that got broken when removing and renumbering a section 
Jul 20 2017
ee6cac826e65Giacomo Fiorin
Update Colvars to version 2017-07-15 and support automated builds for it 
Jul 19 2017
52a1c54d500eAxel Kohlmeyer
support QUIP wrapper API version query, relax hybrid restriction to allow… 
Jul 19 2017
fcf9607a6666Max Veit
Update USER_QUIP docs to clarify use of "special_bonds" 
Jul 19 2017
5cbaf7ca1d32Axel Kohlmeyer
correct commands table format issue 
Jul 18 2017
49e6c2eb7d4aAxel Kohlmeyer
remove references to Make.py from the manual and instead refer to section 4 
Jul 18 2017
a92d79253734Axel Kohlmeyer
update manual links that got broken when removing and renumbering a section 
Jul 18 2017
296e572e6998Steve Plimpton
better Install.py script for KIM from Ryan Elliott 
Jul 15 2017
3b1134c1649aAxel Kohlmeyer
correct formatting error in peridynamics pair style docs 
Jul 14 2017
fc36754ca22asjplimp/GitHub
Merge pull request #561 from v0i0/fix-airebo-various 
Jul 13 2017
3a46c34c2fa3sjplimp/GitHub
Merge pull request #574 from lammps/snap-virial 
Jul 13 2017
a3a0c9b144c5sjplimp/GitHub
Merge pull request #570 from akohlmey/collected-small-changes 
Jul 13 2017
e58bcd8b4aa4sjplimp/GitHub
Merge pull request #568 from akohlmey/fix_gcmc_parallel_workaround 
Jul 13 2017
ef2f4980e9ddsjplimp/GitHub
Merge pull request #566 from akohlmey/compute_rdf_dynamic 
Jul 13 2017
d3a45f6d5057sjplimp/GitHub
Merge pull request #560 from aershadinia/master 
Jul 13 2017
d0cc1dfbb80cSteve Plimpton
changes to SNAP virial from Aidan 
Jul 13 2017
c8939d8df6daAxel Kohlmeyer
clarify explanation of body style molecule in rigid fixes 
Jul 11 2017
c9a0d38a3effAxel Kohlmeyer
mention restriction for use with fix shake or fix rigid in fix gcmc docs 
Jul 10 2017
fe888e462219Axel Kohlmeyer
add support for recomputing normalization factors and finite size correction… 
Jul 7 2017
433937994877Steve Plimpton
patch 6Jul17 
Jul 6 2017
23925b3a57fcAxel Kohlmeyer
update fix wall/ees and wall/region/ees file to conform more to common… 
Jul 6 2017
423e3b6389dcAxel Kohlmeyer
integrate fix wall/ees and wall/region/ees into doc system 
Jul 6 2017
8be6d5bfd841Abdoreza Ershadinia/GitHub
Merged two doc files 
Jul 6 2017
a62eb43791daAbdoreza Ershadinia/GitHub
Delete "fix_wall_region_ees.txt" 
Jul 6 2017
33be51af5432Abdoreza Ershadinia/GitHub
Deleted "fix wall/region/ees" doc file 
Jul 6 2017
ea4f16bd79dfSteve Plimpton
additional fix external hooks for calling programs 
Jul 5 2017
92831f185b3fAbdo
Merge branch 'master' of https://github.com/aershadinia/lammps 
Jul 5 2017
7e42af18bc68Markus Hoehnerbach
Feature: AIREBO parametrize cutoff switching 
Jul 5 2017
f670dba3d019Steve Plimpton
3rd variant of Fortran wrapper for DFTB+ calling LAMMPS 
Jul 3 2017
6fc0a94e8783sjplimp/GitHub
Merge pull request #524 from martok/package-meamc 
Jul 3 2017
e634c5a2dec8Steve Plimpton
memory allocation bugfix for USER-INTEL pppm from M Brown 
Jul 3 2017
883b7aaa0efcsjplimp/GitHub
Merge pull request #557 from lammps/create-bonds 
Jun 30 2017
b445f8eadf67Axel Kohlmeyer
spell-check new additions to create_bonds doc page 
Jun 30 2017
b79044d4f60fsjplimp/GitHub
Merge pull request #554 from jewettaij/master 
Jun 30 2017
711afe5062ffSteve Plimpton
add single options to create_bonds command 
Jun 30 2017
b2b621a2e18bsjplimp/GitHub
Merge pull request #547 from akohlmey/collected-bugfixes 
Jun 30 2017
f6faad335cf5Axel Kohlmeyer
update documentation for nb3/harmonic pair style according to e-mail to lammps… 
Jun 30 2017
d5921e9fb9e8Axel Kohlmeyer
consolidate and update error message and read_data documentation for the… 
Jun 29 2017
38075455b674Andrew Jewett
new keywords for read_data: extra/X/per/atoms + changes to docs 
Jun 29 2017
1370385c8c9fSteve Plimpton
patch 23Jun17 
Jun 24 2017
4fcbd58d5a32Steve Plimpton
doc page clarifications for CHARMM energy and dipole pre-factors 
Jun 23 2017
feb500b52684Axel Kohlmeyer
reword the kspace_modify fftbench keyword docs to reflect the current state (i. 
Jun 23 2017
7a4a56985986sjplimp/GitHub
Merge pull request #540 from lammps/neighrespa 
Jun 22 2017
de3157f720b3Axel Kohlmeyer
document new restrictions to CHARMM compatible dihedral styles 
Jun 22 2017
1fc2eb1e3e4bSteve Plimpton
fix issue with rRESPA inner/middle neighbor lists 
Jun 21 2017
1a77135ed65bAxel Kohlmeyer
whitespace cleanup in docs 
Jun 21 2017
f45c7e1fb023Axel Kohlmeyer
update fix ti/spring docs to reflect it is part of USER-MISC 
Jun 21 2017
87c028ed0237Steve Plimpton
patch 20Jun17 
Jun 20 2017
72a1364d854fAxel Kohlmeyer/GitHub
Merge branch 'master' into package-meamc 
Jun 20 2017
50c9167913d6Axel Kohlmeyer
small formatting correction in fix neb docs 
Jun 20 2017
d2610d9e7c0dSteve Plimpton
minor changes to NEB doc pages and examples 
Jun 20 2017
9d3e34e4922cAxel Kohlmeyer
add missing reference for lj/smooth/linear 
Jun 19 2017
8988b692a392Emile Maras
modified the documentation, first and last freeend can have different spring… 
Jun 19 2017
cd88b31450c3Steve Plimpton
same PR, also has cosmetic changes to new fix neb options 
Jun 17 2017
9b9f6d6fe2f4Steve Plimpton
USER-INTEL upgrade from M Brown 
Jun 17 2017
d3c90f3c14ddsjplimp/GitHub
Merge pull request #510 from akohlmey/collected-small-changes 
Jun 15 2017
1a29048940e9sjplimp/GitHub
Merge pull request #531 from ohenrich/user-cgdna 
Jun 15 2017
7227bc415d00sjplimp/GitHub
Merge pull request #526 from andeplane/vashishta_gpu 
Jun 15 2017
30177c4eaeb0sjplimp/GitHub
Merge pull request #521 from pastewka/17_dump_nc 
Jun 15 2017
576b7f1d97b7sjplimp/GitHub
Merge pull request #519 from Pakketeretet2/USER-MANIFOLD-gaussian-bump 
Jun 15 2017
86369fec6babsjplimp/GitHub
Merge pull request #517 from akohlmey/select-rigid-reinit-option 
Jun 15 2017
9a7207e34cb4sjplimp/GitHub
Merge pull request #511 from akohlmey/add-compute-cnp 
Jun 15 2017
3c7417fb598dsjplimp/GitHub
Merge pull request #497 from lammps/add-user-reaxc-omp 
Jun 15 2017
34cfc7bd514bsjplimp/GitHub
Merge pull request #490 from EmileMaras/NEB-Change 
Jun 15 2017
77ca68a2b4daOliver Henrich
Changed affiliation 
Jun 15 2017
e139a7fd4549Anders Hafreager
Updated docs for vashishta/gpu 
Jun 14 2017
bdd908c30380Axel Kohlmeyer
update documentation for USER-MEAMC package and pair style meam/c 
Jun 12 2017
daa77176add6Axel Kohlmeyer
add restart support to fix deform. only "initial" data is restored and some… 
Jun 10 2017
a849f35dcdd3Axel Kohlmeyer
adjust compute cnp/atom to match the documentation. need to skip atoms not in… 
Jun 10 2017
c81bc108f9aeLars Pastewka
DOC: Updated dump_modify and dump netcdf documentation. 
Jun 8 2017
1f9504c54622Axel Kohlmeyer
some more bookkeeping updates triggered by the lj/sf style removal 
Jun 6 2017
5cb56796a22fAxel Kohlmeyer
alias pair style lj/sf to lj/smooth/linear and remove/update related files 
Jun 6 2017
cd67eaa5f42aAxel Kohlmeyer
update e-mail and affiliation for stefan paquay in USER-MANIFOLD related files 
Jun 6 2017
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