Diffusion lammps (lammm-devel) History

lammps/doc
lammm-devele93f8f88897552ca93f5890…

Oct 18 2017

Merge pull request #671 from danicholson/user-uef
e93f8f888975
·Steve Plimpton / GitHub on Oct 18 2017, 21:38.
Merge pull request #669 from urpedersen/master
35f2cfa0bfaf
·Steve Plimpton / GitHub on Oct 18 2017, 21:31.

Oct 16 2017

add gromos bond style
374d619769c2
·Axel Kohlmeyer on Oct 16 2017, 20:57.

Oct 13 2017

Update Colvars to version 2017-10-11
3e89b270fdf8
·Giacomo Fiorin on Oct 13 2017, 19:45.

Oct 9 2017

Merge pull request #681 from lammps/dump-modify
a1f5693fe08e
·Steve Plimpton / GitHub on Oct 9 2017, 16:29.

Oct 7 2017

Merge branch 'master' into HEAD
b6187173e626
·Christoph Junghans on Oct 7 2017, 20:35.
Merge pull request #680 from lammps/map-yes
88a33edb5022
·Steve Plimpton / GitHub on Oct 7 2017, 01:43.

Oct 6 2017

avoid merge conflict
6820db99e22f
·Axel Kohlmeyer on Oct 6 2017, 20:41.
remove dependence of dump modify 'at' and 'append'
e91e505fb36e
·Steve Plimpton on Oct 6 2017, 17:44.
Merge pull request #673 from pastewka/17_dump_nc2
f7cbdcf99584
·Steve Plimpton / GitHub on Oct 6 2017, 17:14.
DOC: Updated doc to separate description of 'append' and 'at' keywords.
352a20fc1cb7
·Lars Pastewka on Oct 6 2017, 16:38.
Merge branch 'master' into user-intel-update
05847a0e8713
·Axel Kohlmeyer / GitHub on Oct 6 2017, 16:18.
Merge pull request #676 from stanmoore1/kokkos_reverse_comm
15853a0e38dc
·Steve Plimpton / GitHub on Oct 6 2017, 01:08.
add atom_modify map yes, also timers to create_atoms and replicate
214c0cfb2b7e
·Steve Plimpton on Oct 6 2017, 00:44.

Oct 3 2017

Add Kokkos threaded reverse comm option
ca032f21fbfa
·Stan Moore on Oct 3 2017, 18:14.
integrate fix rhok into the LAMMPS source code management and documentation…
1bb7af9ef91a
·Axel Kohlmeyer on Oct 3 2017, 16:45.
Minor adjustments to intel makefiles and documentation based on the reversed…
5e8926963126
·Michael Brown on Oct 3 2017, 08:41.
include dump cfg/uef in commands toctree
11eed234f08a
·Axel Kohlmeyer on Oct 3 2017, 06:14.
added citation to doc
af1fc45db0b3
·David Nicholson on Oct 3 2017, 06:04.
update documentation for the reversal in the INTEL_MKL_RNG define
466fde6443bf
·Axel Kohlmeyer on Oct 3 2017, 03:20.

Oct 2 2017

include USER-UEF styles in PDF version of manual
92d9b361fcda
·Axel Kohlmeyer on Oct 2 2017, 23:39.
Adding pair style dpd/intel and dihedral style fourier/intel Adding raw…
cf24dd026520
·Michael Brown on Oct 2 2017, 13:53.

Oct 1 2017

DOC: Corrected syntax for appending at certain frame (NetCDF only)
a7b0d1f521af
·Lars Pastewka on Oct 1 2017, 14:40.
DOC: Added multi file example.
da7be99cc4a3
·Lars Pastewka on Oct 1 2017, 14:28.

Sep 29 2017

doc revisions
2a06b75af84c
·David Nicholson on Sep 29 2017, 21:36.
Update fix_rhok.txt
c66ddf9ac0e8
·Ulf R. Pedersen / GitHub on Sep 29 2017, 08:03.
doc edits, README, and citeme
480b087c9392
·David Nicholson on Sep 29 2017, 00:31.

Sep 28 2017

doc edits i missed in earlier commit
0029583463c1
·David Nicholson on Sep 28 2017, 23:46.
first draft of doc done
80898b86959c
·David Nicholson on Sep 28 2017, 23:42.
initial commit. doc is in the works
855b6000efcb
·David Nicholson on Sep 28 2017, 22:34.
Update fix_rhok.txt
10d1741e7f08
·Ulf R. Pedersen / GitHub on Sep 28 2017, 18:38.
typo in equation
d11733d3a0ee
·Ulf R. Pedersen on Sep 28 2017, 18:28.
Update documentation
75b3f34a582c
·Ulf R. Pedersen on Sep 28 2017, 18:16.
more documentation
fe80c57bdef9
·Ulf R. Pedersen on Sep 28 2017, 17:01.
Create fix_rhok.txt
e49f0e396b60
·Ulf R. Pedersen / GitHub on Sep 28 2017, 16:24.
Create fix_rhok.txt
37e55a825b31
·Ulf R. Pedersen / GitHub on Sep 28 2017, 16:20.

Sep 27 2017

correct bogus links in LATTE docs
de45fa6e7107
·Axel Kohlmeyer on Sep 27 2017, 00:25.

Sep 26 2017

add missing entry for pdf version of manual
bfdc4acb8bbe
·Axel Kohlmeyer on Sep 26 2017, 22:53.
fix typo in formatting
fd3ecd048120
·Axel Kohlmeyer on Sep 26 2017, 22:52.
correct formatting and broken/colliding link issues with LATTE package related…
8bba6d3e8c63
·Axel Kohlmeyer on Sep 26 2017, 22:52.

Sep 22 2017

patch 22Sep17
f2c1172741b5
·Steve Plimpton on Sep 22 2017, 23:46.
Merge pull request #652 from junghans/latte
ee487ef4aa4f
·Steve Plimpton / GitHub on Sep 22 2017, 18:32.

Sep 21 2017

update fix latte examples and virial
a8ae8866676e
·Steve Plimpton on Sep 21 2017, 18:40.

Sep 20 2017

new SNAP potentials and examples
dd49d54889a2
·Steve Plimpton on Sep 20 2017, 16:54.
Merge pull request #655 from akohlmey/fixes-for-patch
fbaa7ab8fa55
·Steve Plimpton / GitHub on Sep 20 2017, 16:51.
Merge pull request #645 from akohlmey/kokkos-makefile-updates
2e9803efb31d
·Steve Plimpton / GitHub on Sep 20 2017, 16:40.
add fix latte command to doc pages
76d93f21dd9c
·Steve Plimpton on Sep 20 2017, 00:55.
LATTE package doc update and some small code changes
ac897ea6457c
·Steve Plimpton on Sep 20 2017, 00:27.

Sep 19 2017

reverse the pre-processor logic of the LRT mode define
cdb6ec7419d0
·Axel Kohlmeyer on Sep 19 2017, 17:24.

Sep 15 2017

Merge pull request #649 from akohlmey/fix-virial-aidan
d101fe3e79fd
·Steve Plimpton / GitHub on Sep 15 2017, 23:25.
add support for fix_modify virial yes to fix smd
99e5dc710461
·Axel Kohlmeyer on Sep 15 2017, 07:21.
correct cut-n-paste errors in the documentation of fix_modify virial
ccb67d8dc511
·Axel Kohlmeyer on Sep 15 2017, 07:20.
correct cut-n-paste error, add docs
2cd7cbd96415
·Axel Kohlmeyer on Sep 15 2017, 06:54.

Sep 12 2017

import changes to various fixes by aidan to include virial contributions
e196a2b9e54a
·Axel Kohlmeyer on Sep 12 2017, 04:24.

Sep 6 2017

update docs for changes to makefiles
366d08702780
·Axel Kohlmeyer on Sep 6 2017, 20:20.
fix typo in commands table
fe557cb882e2
·Axel Kohlmeyer on Sep 6 2017, 17:35.
Merge pull request #641 from lammps/doc-tweak
c80203cb0115
·Steve Plimpton / GitHub on Sep 6 2017, 16:52.
Merge pull request #640 from ohenrich/user-cgdna
4161868bcf69
·Steve Plimpton / GitHub on Sep 6 2017, 16:52.
Merge pull request #632 from timattox/USER-DPD_kokkos_merge
99791ce01c09
·Steve Plimpton / GitHub on Sep 6 2017, 16:50.

Sep 5 2017

fix syntax error in fix saed/vtk docs example
d886cc91f3b3
·Axel Kohlmeyer on Sep 5 2017, 23:45.
fix another couple of typos
45602e58f99a
·Axel Kohlmeyer / GitHub on Sep 5 2017, 18:48.
fix typo
cd72532fb934
·Axel Kohlmeyer / GitHub on Sep 5 2017, 18:47.
Merge pull request #620 from amilumas/master
b1706060529b
·Steve Plimpton / GitHub on Sep 5 2017, 18:08.
Merge pull request #638 from jdevemy/master
65b295e826aa
·Steve Plimpton / GitHub on Sep 5 2017, 18:05.
small update to docs for new commands
89a0bc947f01
·Steve Plimpton on Sep 5 2017, 18:04.
Included hyperlink to package
c8967a335f26
·Oliver Henrich on Sep 5 2017, 12:45.
More minor changes
2105145f55e6
·Oliver Henrich on Sep 5 2017, 12:40.
Added comment about optimised damping coefficient for BD
f7715ab6ce3c
·Oliver Henrich on Sep 5 2017, 12:35.
Added sequence-dependent stacking and base-pairing strength
12fe614ddf58
·Oliver Henrich on Sep 5 2017, 11:48.

Sep 1 2017

Merge branch 'master' of github.com:lammps/lammps
2b9646097c86
·Steve Plimpton on Sep 1 2017, 17:16.
patch 1Sep17
f58088ae619d
·Steve Plimpton on Sep 1 2017, 17:15.

Aug 31 2017

fully integrate temper/npt command into manual
f3dda30f8ef3
·Axel Kohlmeyer on Aug 31 2017, 19:53.
Mods for extra/special/per/atom and add toluene
a5b65c1af48c
·Julien Devemy on Aug 31 2017, 15:03.

Aug 29 2017

Add files via upload
f57d19492051
·Amulya / GitHub on Aug 29 2017, 16:40.

Aug 28 2017

Merge branch 'master' (21893539cb Aug 25) into USER-DPD_kokkos_merge
736e063971bc
·Tim Mattox on Aug 28 2017, 21:46.

Aug 26 2017

tweak an eq in USER-MESO, also allow neigh to be built w/out styles
81ba181349d7
·Steve Plimpton on Aug 26 2017, 01:04.
Update docs for Kokkos version of USER-DPD package
e52a28f8afaf
·Stan Moore on Aug 26 2017, 00:20.

Aug 23 2017

correct typo in header formatting
6db3bd87ee73
·Axel Kohlmeyer on Aug 23 2017, 23:52.
Merge pull request #624 from akohlmey/compute-fragment
7b7a5076d00a
·Steve Plimpton / GitHub on Aug 23 2017, 22:14.
Merge pull request #622 from akohlmey/collected-small-fixes
f7a0a6eb7069
·Steve Plimpton / GitHub on Aug 23 2017, 22:12.
update fix qeq docs for the new, more flexible parameter file format
97edf90a7389
·Axel Kohlmeyer on Aug 23 2017, 17:22.
make links unique, fix doc format warnings and add entries to administrative…
cdfb1aa04375
·Axel Kohlmeyer on Aug 23 2017, 06:39.
restore changes to read_data docs, that would have been lost due to merging an…
b80752a40c56
·Axel Kohlmeyer on Aug 23 2017, 06:01.

Aug 21 2017

add a compute aggregate/atom, that combines the rules for compute cluster/atom…
5a0c3aea8ac1
·Axel Kohlmeyer on Aug 21 2017, 19:12.

Aug 20 2017

remove non-portable non-ascii blanks from fix wall/ees docs
f5b8f722eee3
·Axel Kohlmeyer on Aug 20 2017, 16:09.
add missing entry in pdf manual
39e51df2c004
·Axel Kohlmeyer on Aug 20 2017, 16:02.
add docs for compute fragment/atom
4dc1195cd851
·Axel Kohlmeyer on Aug 20 2017, 15:41.

Aug 19 2017

new USER-MESO package
f945d4567d4f
·Steve Plimpton on Aug 19 2017, 01:33.

Aug 18 2017

patch 17Aug17
7ddcb6812b44
·Steve Plimpton on Aug 18 2017, 00:02.

Aug 17 2017

Merge pull request #613 from akohlmey/collected-small-changes
76cd61350d4c
·Steve Plimpton / GitHub on Aug 17 2017, 19:34.
Merge pull request #618 from lammps/intel
fa3c0c61d6a8
·Steve Plimpton / GitHub on Aug 17 2017, 19:32.
Merge pull request #612 from giacomofiorin/colvars-update-2017-08-10
c46d5ff422c2
·Steve Plimpton / GitHub on Aug 17 2017, 19:32.

Aug 16 2017

flag more pair styles as supporting USER-INTEL to match newly added code
7175abcc7170
·Axel Kohlmeyer on Aug 16 2017, 19:58.
Fix a couple of typos in the docs
e34b20405c28
·Axel Kohlmeyer / GitHub on Aug 16 2017, 03:10.
USER-INTEL add-ons from Mike
1d4d2155a23b
·Steve Plimpton on Aug 16 2017, 01:12.

Aug 15 2017

update manual to point to packages.lammps.org instead of rpm.lammps.org
cee87d7a54b5
·Axel Kohlmeyer on Aug 15 2017, 22:19.

Aug 11 2017

patch 11Aug17
0b3f1b8a156d
·Steve Plimpton on Aug 11 2017, 20:19.
patch 10Aug17
52bec0f380dd
·Steve Plimpton on Aug 11 2017, 00:44.

Aug 10 2017

remove special_bonds extra keyword and refer to read_data and create_box instead
c8741f3a01a2
·Axel Kohlmeyer on Aug 10 2017, 21:12.
More robust change from initial to target restraint centers in Colvars
da01be7c1857
·Giacomo Fiorin on Aug 10 2017, 15:22.

lammps/doclammm-devele93f8f88897552ca93f5890…

Oct 18 2017

Oct 16 2017

Oct 13 2017

Oct 9 2017

Oct 7 2017

Oct 6 2017

Oct 3 2017

Oct 2 2017

Oct 1 2017

Sep 29 2017

Sep 28 2017

Sep 27 2017

Sep 26 2017

Sep 22 2017

Sep 21 2017

Sep 20 2017

Sep 19 2017

Sep 15 2017

Sep 12 2017

Sep 6 2017

Sep 5 2017

Sep 1 2017

Aug 31 2017

Aug 29 2017

Aug 28 2017

Aug 26 2017

Aug 23 2017

Aug 21 2017

Aug 20 2017

Aug 19 2017

Aug 18 2017

Aug 17 2017

Aug 16 2017

Aug 15 2017

Aug 11 2017

Aug 10 2017

lammps/doc
lammm-devele93f8f88897552ca93f5890…