|
|
6760866f44
|
integrate pair styles spin/dipole/cut and spin/dipole/long properly into docs
|
2019-06-20 11:49:53 -04:00 |
|
|
|
17bfed3590
|
move non-LaTeX images from doc/src/Eqs folder to doc/src/JPG
this also updates links in doc sources referencing them
|
2019-06-20 11:39:41 -04:00 |
|
|
|
bc224bc66e
|
Eliminate a doc build warning. pair_spin_dipole.txt was recently edited. Much content was removed and it no longer contained any internal reference links. But it still had a link anchor at the bottom. This was generating a build warning. I've removed the unused link anchor and an unneeded line separator.
|
2019-06-20 09:15:40 -06:00 |
|
|
|
c9fc83ef6f
|
Move two non-equation images from Eqs folder to JPG folder
|
2019-06-20 08:16:20 -06:00 |
|
|
|
fe5e952319
|
Fix docs issues
|
2019-06-19 19:17:20 -04:00 |
|
|
|
87e6fda820
|
Merge remote-tracking branch 'upstream/master'
|
2019-06-19 18:52:47 -04:00 |
|
|
|
f54ad09668
|
recreate missing LaTeX files for image-only equations
|
2019-06-19 17:53:40 -04:00 |
|
|
|
599ef78161
|
put dump_modify after the list of all dump variant doc pages
|
2019-06-19 17:13:06 -04:00 |
|
|
|
fe1afee84e
|
Merge remote-tracking branch 'upstream/master'
|
2019-06-19 16:12:36 -04:00 |
|
|
|
395a9d3739
|
Fold hma compute into USER-MISC
|
2019-06-19 16:12:15 -04:00 |
|
|
|
52a3d825ef
|
Explain more about advantages of HMA, restrictions, point to examples/hma
|
2019-06-19 13:35:35 -04:00 |
|
|
|
26347ec80c
|
Add docs for compute momentum
|
2019-06-19 13:56:00 +01:00 |
|
|
|
bb11344424
|
Merge pull request #1522 from akohlmey/next_version
Step version string for next patch release
|
2019-06-18 22:01:42 -04:00 |
|
|
|
0bc648e23e
|
add message quit protocol, to allow for non-quantum MD steps
|
2019-06-18 14:30:30 -06:00 |
|
|
|
e754fb80a4
|
Merge pull request #1518 from akohlmey/collected-small-changes
Collected small changes and fixes for the next patch release
|
2019-06-18 16:21:41 -04:00 |
|
|
|
08471684f3
|
upgrades to global and local hyper, including more output
|
2019-06-18 12:29:46 -06:00 |
|
|
|
06506b9f40
|
Merge branch 'master' of https://github.com/lammps/lammps into fft
|
2019-06-18 12:11:01 -06:00 |
|
|
|
d98c105d34
|
step version string to 18 June 2019
|
2019-06-18 11:52:09 -04:00 |
|
|
|
961dcfc261
|
mention alternate build environment generators for cmake
|
2019-06-18 11:50:06 -04:00 |
|
|
|
81cdce9b04
|
flag and document that USER-TALLY computes are not compatible with dynamic groups
|
2019-06-18 00:14:48 -04:00 |
|
|
|
fce9439c72
|
Update docs
|
2019-06-17 15:25:22 -06:00 |
|
|
|
a39a35af20
|
Merge pull request #1517 from jrgissing/bond/react-clarify-template-check-messages
Bond/react: clarify reaction-template warning messages
|
2019-06-17 14:14:53 -04:00 |
|
|
|
5d73b0790f
|
Merge pull request #1510 from evoyiatzis/respa_class_2
Implementation of inner/middle/outer compute methods for lj/class2
|
2019-06-17 14:13:47 -04:00 |
|
|
|
93fd33aad9
|
Merge pull request #1507 from athomps/yarray
Back-porting of Zombie SNAP improvements
|
2019-06-17 14:13:28 -04:00 |
|
|
|
6536399fc3
|
Merge pull request #1476 from uihsnv/log_spacing
A function logfreq3(), for logarithmic spacing
|
2019-06-17 14:12:59 -04:00 |
|
|
|
2f29bd29f4
|
Merge pull request #1430 from ndtrung81/gpu-neigh-hybrid
Enable neighbor build on the device for pair hybrid substyles
|
2019-06-17 14:12:40 -04:00 |
|
|
|
4178c5167b
|
clarify template error/warning message
|
2019-06-16 14:47:07 -06:00 |
|
|
|
3611cfdaf8
|
All styles support setting molecules' orientation
|
2019-06-14 19:58:31 +02:00 |
|
|
|
e7116c8680
|
Update pair_class2.txt
Addition of a few lines in the documentation file
|
2019-06-14 09:04:03 +02:00 |
|
|
|
5fb505ca8c
|
Fixed typo
|
2019-06-13 10:24:18 -06:00 |
|
|
|
67a1a63f5f
|
Removed old text
|
2019-06-13 10:10:37 -06:00 |
|
|
|
a973700295
|
Completed back-porting of Zombie SNAP improvements, particularly noteworthy is reduction in memory footprint, elimination of most multidimensional arrays, elimination of diagonal_style, elimination of Z array in force calculation.
|
2019-06-12 16:42:28 -06:00 |
|
|
|
daa53e3008
|
Merge pull request #1469 from julient31/pppm_spin
Adding PPPM and Ewald solvers for electric dipoles and magnetic spins
|
2019-06-12 14:50:18 -04:00 |
|
|
|
d9206127fb
|
Add hyphen to roundoff, fix false positives
|
2019-06-12 11:40:21 -04:00 |
|
|
|
e72ac92a7f
|
Merge pull request #1422 from stanmoore1/team_opt
Optimize KOKKOS package for small systems
|
2019-06-10 20:03:53 -04:00 |
|
|
|
664b938ed1
|
document kim_style changes
|
2019-06-10 17:45:07 -04:00 |
|
|
|
2d90bb9947
|
Unbreak computes.txt
|
2019-06-10 17:12:01 -04:00 |
|
|
|
b195ccfb27
|
Unbreak compute.txt
|
2019-06-10 17:08:40 -04:00 |
|
|
|
45a2f9ae68
|
Merge remote-tracking branch 'upstream/master'
|
2019-06-10 16:15:07 -04:00 |
|
|
|
5c9c15025a
|
Add bits to Packages_details, Packages_user, fix up typos
|
2019-06-10 16:13:34 -04:00 |
|
|
|
cea1bd9cd9
|
Merging to stay up-to-date after patch 5Jun2019
|
2019-06-08 16:47:02 +05:30 |
|
|
|
8e43a45925
|
Detect and error out on invalid kspace mesh settings. make coulomb and dispersion settings consistent
|
2019-06-05 01:10:44 -04:00 |
|
|
|
92f078cfff
|
nicer typesetting of "none, zero, hybrid" potential styles in commands lists
|
2019-06-04 22:29:25 -04:00 |
|
|
|
0849e03d1b
|
Merge pull request #1490 from akohlmey/next_version
Step version number for stable release
|
2019-06-04 15:23:13 -04:00 |
|
|
|
47c6cd86f2
|
Merge pull request #1477 from jrgissing/bond/react-reaction_topology_overflow
Implement fix bond/react reaction topology overflow checks
|
2019-06-04 11:02:57 -04:00 |
|
|
|
27cd78b96d
|
Merge pull request #1488 from akohlmey/doc-removed-features
Document removed features
|
2019-06-03 22:58:20 -04:00 |
|
|
|
272c536326
|
use 3 letters for month only
|
2019-06-03 22:52:40 -04:00 |
|
|
|
0b13fbe733
|
step version number for stable release
|
2019-06-03 22:47:44 -04:00 |
|
|
|
a981626948
|
mention restart2data as removed feature as well
|
2019-06-03 09:01:22 -04:00 |
|
|
|
5f79a9ef80
|
mention dummy commands with error messages that have been added instead of removed commands
|
2019-06-02 21:51:06 -04:00 |
|
