History Graph
History Graph
Commit | Author | Details | Committed | |||
---|---|---|---|---|---|---|
99e5dc710461 | Axel Kohlmeyer | add support for fix_modify virial yes to fix smd | Sep 15 2017 | |||
ccb67d8dc511 | Axel Kohlmeyer | correct cut-n-paste errors in the documentation of fix_modify virial | Sep 15 2017 | |||
2cd7cbd96415 | Axel Kohlmeyer | correct cut-n-paste error, add docs | Sep 15 2017 | |||
e196a2b9e54a | Axel Kohlmeyer | import changes to various fixes by aidan to include virial contributions | Sep 12 2017 | |||
c80203cb0115 | Steve Plimpton/GitHub | Merge pull request #641 from lammps/doc-tweak | Sep 6 2017 | |||
4161868bcf69 | Steve Plimpton/GitHub | Merge pull request #640 from ohenrich/user-cgdna | Sep 6 2017 | |||
99791ce01c09 | Steve Plimpton/GitHub | Merge pull request #632 from timattox/USER-DPD_kokkos_merge | Sep 6 2017 | |||
d886cc91f3b3 | Axel Kohlmeyer | fix syntax error in fix saed/vtk docs example | Sep 5 2017 | |||
45602e58f99a | Axel Kohlmeyer/GitHub | fix another couple of typos | Sep 5 2017 | |||
cd72532fb934 | Axel Kohlmeyer/GitHub | fix typo | Sep 5 2017 | |||
b1706060529b | Steve Plimpton/GitHub | Merge pull request #620 from amilumas/master | Sep 5 2017 | |||
65b295e826aa | Steve Plimpton/GitHub | Merge pull request #638 from jdevemy/master | Sep 5 2017 | |||
89a0bc947f01 | Steve Plimpton | small update to docs for new commands | Sep 5 2017 | |||
c8967a335f26 | Oliver Henrich | Included hyperlink to package | Sep 5 2017 | |||
2105145f55e6 | Oliver Henrich | More minor changes | Sep 5 2017 | |||
f7715ab6ce3c | Oliver Henrich | Added comment about optimised damping coefficient for BD | Sep 5 2017 | |||
12fe614ddf58 | Oliver Henrich | Added sequence-dependent stacking and base-pairing strength | Sep 5 2017 | |||
2b9646097c86 | Steve Plimpton | Merge branch 'master' of github.com:lammps/lammps | Sep 1 2017 | |||
f58088ae619d | Steve Plimpton | patch 1Sep17 | Sep 1 2017 | |||
f3dda30f8ef3 | Axel Kohlmeyer | fully integrate temper/npt command into manual | Aug 31 2017 | |||
a5b65c1af48c | Julien Devemy | Mods for extra/special/per/atom and add toluene | Aug 31 2017 | |||
f57d19492051 | Amulya/GitHub | Add files via upload | Aug 29 2017 | |||
736e063971bc | Tim Mattox | Merge branch 'master' (21893539cb Aug 25) into USER-DPD_kokkos_merge | Aug 28 2017 | |||
81ba181349d7 | Steve Plimpton | tweak an eq in USER-MESO, also allow neigh to be built w/out styles | Aug 26 2017 | |||
e52a28f8afaf | Stan Moore | Update docs for Kokkos version of USER-DPD package | Aug 26 2017 | |||
6db3bd87ee73 | Axel Kohlmeyer | correct typo in header formatting | Aug 23 2017 | |||
7b7a5076d00a | Steve Plimpton/GitHub | Merge pull request #624 from akohlmey/compute-fragment | Aug 23 2017 | |||
f7a0a6eb7069 | Steve Plimpton/GitHub | Merge pull request #622 from akohlmey/collected-small-fixes | Aug 23 2017 | |||
97edf90a7389 | Axel Kohlmeyer | update fix qeq docs for the new, more flexible parameter file format | Aug 23 2017 | |||
cdfb1aa04375 | Axel Kohlmeyer | make links unique, fix doc format warnings and add entries to administrative… | Aug 23 2017 | |||
b80752a40c56 | Axel Kohlmeyer | restore changes to read_data docs, that would have been lost due to merging an… | Aug 23 2017 | |||
5a0c3aea8ac1 | Axel Kohlmeyer | add a compute aggregate/atom, that combines the rules for compute cluster/atom… | Aug 21 2017 | |||
f5b8f722eee3 | Axel Kohlmeyer | remove non-portable non-ascii blanks from fix wall/ees docs | Aug 20 2017 | |||
39e51df2c004 | Axel Kohlmeyer | add missing entry in pdf manual | Aug 20 2017 | |||
4dc1195cd851 | Axel Kohlmeyer | add docs for compute fragment/atom | Aug 20 2017 | |||
f945d4567d4f | Steve Plimpton | new USER-MESO package | Aug 19 2017 | |||
7ddcb6812b44 | Steve Plimpton | patch 17Aug17 | Aug 18 2017 | |||
76cd61350d4c | Steve Plimpton/GitHub | Merge pull request #613 from akohlmey/collected-small-changes | Aug 17 2017 | |||
fa3c0c61d6a8 | Steve Plimpton/GitHub | Merge pull request #618 from lammps/intel | Aug 17 2017 | |||
c46d5ff422c2 | Steve Plimpton/GitHub | Merge pull request #612 from giacomofiorin/colvars-update-2017-08-10 | Aug 17 2017 | |||
7175abcc7170 | Axel Kohlmeyer | flag more pair styles as supporting USER-INTEL to match newly added code | Aug 16 2017 | |||
e34b20405c28 | Axel Kohlmeyer/GitHub | Fix a couple of typos in the docs | Aug 16 2017 | |||
1d4d2155a23b | Steve Plimpton | USER-INTEL add-ons from Mike | Aug 16 2017 | |||
cee87d7a54b5 | Axel Kohlmeyer | update manual to point to packages.lammps.org instead of rpm.lammps.org | Aug 15 2017 | |||
0b3f1b8a156d | Steve Plimpton | patch 11Aug17 | Aug 11 2017 | |||
52bec0f380dd | Steve Plimpton | patch 10Aug17 | Aug 11 2017 | |||
c8741f3a01a2 | Axel Kohlmeyer | remove special_bonds extra keyword and refer to read_data and create_box instead | Aug 10 2017 | |||
da01be7c1857 | Giacomo Fiorin | More robust change from initial to target restraint centers in Colvars | Aug 10 2017 | |||
f9a515efd37d | Axel Kohlmeyer | add some remarks about makefile settings on windows | Aug 10 2017 | |||
5b557442093c | Axel Kohlmeyer | fix a header line formatting issue | Aug 10 2017 | |||
f01103dd0885 | Axel Kohlmeyer | correctly use the term CUDA (instead of Cuda) when not referring to the KOKKOS… | Aug 10 2017 | |||
81f4d7ecb535 | Axel Kohlmeyer | rework section 4 (Packages) in the manual to match Install.py scripts | Aug 10 2017 | |||
0a54c34e34c2 | Steve Plimpton/GitHub | Merge pull request #600 from akohlmey/install-and-docs-reviewed | Aug 7 2017 | |||
e0f9a7c34c39 | Richard Berger | Adds BOW tutorial link in main menu | Aug 7 2017 | |||
aaf17bde3ff9 | Richard Berger | Added tutorial for using LAMMPS in Bash on Windows | Aug 7 2017 | |||
5ad8a3332dfc | Axel Kohlmeyer/GitHub | Merge pull request #55 from GarrettTow/patch-1 | Aug 5 2017 | |||
ca7a3a6316dd | GarrettTow/GitHub | Fixed typo in "compute_voronoi_atom.txt" | Aug 4 2017 | |||
59ac6ef57357 | Axel Kohlmeyer | correct a link and a name for OpenKIM | Aug 4 2017 | |||
2fa16bcd4ca9 | Axel Kohlmeyer | make overlapping links to references unique to avoid anchor label errors | Aug 4 2017 | |||
96d37128170f | Richard Berger | Add missing link flag | Jul 31 2017 | |||
b395ef00b446 | Richard Berger | Update tutorial_pylammps.txt | Jul 31 2017 | |||
e7d9aabca6ba | Axel Kohlmeyer | Merge branch 'kim-install' into install-and-docs-reviewed | Jul 28 2017 | |||
72419b631313 | Axel Kohlmeyer | Merge remote-tracking branch 'github/kim-doc' into install-and-docs-reviewed | Jul 27 2017 | |||
da7a5f55d3e4 | Axel Kohlmeyer | Merge branch 'kim-install' into install-and-docs-reviewed | Jul 27 2017 | |||
934cbbbecaff | Steve Plimpton | restore lost KIM doc section in Section packages | Jul 27 2017 | |||
a59b7e4d5647 | Steve Plimpton | patch 24Jul17 | Jul 24 2017 | |||
3449d4226701 | Axel Kohlmeyer | include pair style kim doc changes that were accidentally included in PR #590 | Jul 20 2017 | |||
551001f172a3 | Axel Kohlmeyer | revert change, that is part of the kim-install branch and changeset | Jul 20 2017 | |||
59db5f6a1782 | Steve Plimpton | update of Fortran-DFTB interface to be compatible with fix msst | Jul 20 2017 | |||
3cd597e948fa | sjplimp/GitHub | Merge pull request #585 from akohlmey/make-py-manual-cleanup | Jul 20 2017 | |||
eca61226c267 | sjplimp/GitHub | Merge pull request #583 from giacomofiorin/colvars-update-2017-07-19 | Jul 20 2017 | |||
fac3e3daa237 | sjplimp/GitHub | Merge pull request #581 from libAtoms/idces2quip | Jul 20 2017 | |||
a351977c5904 | Axel Kohlmeyer | update manual links that got broken when removing and renumbering a section | Jul 20 2017 | |||
ee6cac826e65 | Giacomo Fiorin | Update Colvars to version 2017-07-15 and support automated builds for it | Jul 19 2017 | |||
52a1c54d500e | Axel Kohlmeyer | support QUIP wrapper API version query, relax hybrid restriction to allow… | Jul 19 2017 | |||
fcf9607a6666 | Max Veit | Update USER_QUIP docs to clarify use of "special_bonds" | Jul 19 2017 | |||
5cbaf7ca1d32 | Axel Kohlmeyer | correct commands table format issue | Jul 18 2017 | |||
49e6c2eb7d4a | Axel Kohlmeyer | remove references to Make.py from the manual and instead refer to section 4 | Jul 18 2017 | |||
a92d79253734 | Axel Kohlmeyer | update manual links that got broken when removing and renumbering a section | Jul 18 2017 | |||
296e572e6998 | Steve Plimpton | better Install.py script for KIM from Ryan Elliott | Jul 15 2017 | |||
3b1134c1649a | Axel Kohlmeyer | correct formatting error in peridynamics pair style docs | Jul 14 2017 | |||
fc36754ca22a | sjplimp/GitHub | Merge pull request #561 from v0i0/fix-airebo-various | Jul 13 2017 | |||
3a46c34c2fa3 | sjplimp/GitHub | Merge pull request #574 from lammps/snap-virial | Jul 13 2017 | |||
a3a0c9b144c5 | sjplimp/GitHub | Merge pull request #570 from akohlmey/collected-small-changes | Jul 13 2017 | |||
e58bcd8b4aa4 | sjplimp/GitHub | Merge pull request #568 from akohlmey/fix_gcmc_parallel_workaround | Jul 13 2017 | |||
ef2f4980e9dd | sjplimp/GitHub | Merge pull request #566 from akohlmey/compute_rdf_dynamic | Jul 13 2017 | |||
d3a45f6d5057 | sjplimp/GitHub | Merge pull request #560 from aershadinia/master | Jul 13 2017 | |||
d0cc1dfbb80c | Steve Plimpton | changes to SNAP virial from Aidan | Jul 13 2017 | |||
c8939d8df6da | Axel Kohlmeyer | clarify explanation of body style molecule in rigid fixes | Jul 11 2017 | |||
c9a0d38a3eff | Axel Kohlmeyer | mention restriction for use with fix shake or fix rigid in fix gcmc docs | Jul 10 2017 | |||
fe888e462219 | Axel Kohlmeyer | add support for recomputing normalization factors and finite size correction… | Jul 7 2017 | |||
433937994877 | Steve Plimpton | patch 6Jul17 | Jul 6 2017 | |||
23925b3a57fc | Axel Kohlmeyer | update fix wall/ees and wall/region/ees file to conform more to common… | Jul 6 2017 | |||
423e3b6389dc | Axel Kohlmeyer | integrate fix wall/ees and wall/region/ees into doc system | Jul 6 2017 | |||
8be6d5bfd841 | Abdoreza Ershadinia/GitHub | Merged two doc files | Jul 6 2017 | |||
a62eb43791da | Abdoreza Ershadinia/GitHub | Delete "fix_wall_region_ees.txt" | Jul 6 2017 | |||
33be51af5432 | Abdoreza Ershadinia/GitHub | Deleted "fix wall/region/ees" doc file | Jul 6 2017 | |||
ea4f16bd79df | Steve Plimpton | additional fix external hooks for calling programs | Jul 5 2017 | |||
92831f185b3f | Abdo | Merge branch 'master' of https://github.com/aershadinia/lammps | Jul 5 2017 | |||
7e42af18bc68 | Markus Hoehnerbach | Feature: AIREBO parametrize cutoff switching | Jul 5 2017 |
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