|
|
0007b7c9fe
|
Merge branch 'develop' into pair_style_tutorial
|
2023-03-23 01:23:36 -04:00 |
|
|
|
12e0131abf
|
Merge pull request #3693 from akohlmey/collected-small-changes
Collected small changes and fixes
|
2023-03-22 21:56:22 -04:00 |
|
|
|
8149386aec
|
Merge pull request #3699 from lammps/compute-chunk-atom-bug
fix ids once bug in compute chunk/atom
|
2023-03-22 20:17:24 -04:00 |
|
|
|
9470169d2f
|
Merge pull request #3696 from jtclemm/BPM
Minor updates/patches for BPM, rigid, and multi
|
2023-03-22 19:14:47 -04:00 |
|
|
|
872a4e2999
|
cosmetic. remove commented out debug code.
|
2023-03-22 15:03:52 -04:00 |
|
|
|
56ac387e6f
|
synchronize Kokkos version of grow_atoms() with base version
|
2023-03-22 15:02:49 -04:00 |
|
|
|
b5e1bbfa6f
|
move fix property/atom property type enumerator to class definition in header
|
2023-03-22 15:02:14 -04:00 |
|
|
|
1370f05714
|
Elaborating on the scaling of multi
|
2023-03-22 11:33:17 -06:00 |
|
|
|
cc2106397a
|
fix ids once bug in compute chunk/atom
|
2023-03-22 10:18:50 -06:00 |
|
|
|
06d6c183fb
|
Merge branch 'BPM' of github.com:jtclemm/lammps into BPM
|
2023-03-22 09:36:47 -06:00 |
|
|
|
669397b092
|
fixing exponent in multi documentation
|
2023-03-22 09:36:29 -06:00 |
|
|
|
91eb544979
|
address spelling and grammar issues flagged by languagetool.org
|
2023-03-22 01:52:44 -04:00 |
|
|
|
91f3edb63b
|
Merge pull request #73 from jtclemm/pair_style_tutorial
Fix some typos and grammar issues. Thanks @jtclemm.
|
2023-03-22 01:26:34 -04:00 |
|
|
|
a6c7eef624
|
a few possible typos
|
2023-03-21 21:32:20 -06:00 |
|
|
|
3c5083d75d
|
implement suggestions from @jtclemm
|
2023-03-21 21:36:27 -04:00 |
|
|
|
1101383b51
|
add versionadded tags
|
2023-03-20 22:07:02 -04:00 |
|
|
|
4351ada794
|
improve error message throughout fix adap
|
2023-03-20 21:05:11 -04:00 |
|
|
|
badfd0bc40
|
Specifying dimensions, lamda->lambda
|
2023-03-20 15:34:52 -06:00 |
|
|
|
d15e13d475
|
Reverting mistakenly deleted line, fixing duplicated text in granular doc
|
2023-03-20 14:56:39 -06:00 |
|
|
|
ac9389f5cb
|
Slight rewrite
|
2023-03-20 14:24:21 -06:00 |
|
|
|
7876fb7ee7
|
Fixing merge conflicts
|
2023-03-20 14:19:58 -06:00 |
|
|
|
ecc6269648
|
add useful comments
|
2023-03-20 10:52:20 -04:00 |
|
|
|
9f22974209
|
Merge branch 'develop' of github.com:agiliopadua/lammps into collected-small-changes
|
2023-03-20 10:50:05 -04:00 |
|
|
|
3280d6b786
|
Fixed bug in fep tools
|
2023-03-20 14:47:40 +01:00 |
|
|
|
a320f24247
|
Fixed bug in fep tools
|
2023-03-20 14:46:01 +01:00 |
|
|
|
e317b0eb7e
|
update kim unit tests for recent changes, make variable for extended test an option
|
2023-03-20 07:11:47 -04:00 |
|
|
|
f4314076ae
|
address scoping issues, use constexpr for unit constants, modernize
|
2023-03-20 06:18:17 -04:00 |
|
|
|
b0e7d9702b
|
modernize and simplify
|
2023-03-20 01:02:22 -04:00 |
|
|
|
57e86346a6
|
fix bug where floating point data was formatted as integer since the second column was assumed to be the type
|
2023-03-19 18:20:31 -04:00 |
|
|
|
03b63de588
|
update .gitignore for recently added styles
|
2023-03-19 16:05:53 -04:00 |
|
|
|
ece7697f6a
|
cosmetic
|
2023-03-18 23:16:59 -04:00 |
|
|
|
a2a4dcba06
|
complete sections about variants of potentials
|
2023-03-18 23:16:42 -04:00 |
|
|
|
c9af040be9
|
improve error message
|
2023-03-18 20:00:58 -04:00 |
|
|
|
26941e4a2e
|
complete first draft of full pair style explanation and start with many-body
|
2023-03-18 20:00:41 -04:00 |
|
|
|
14e30d61cf
|
more content
|
2023-03-17 08:36:10 -04:00 |
|
|
|
aca8bc4ea9
|
Merge branch 'develop' into pair_style_tutorial
|
2023-03-17 05:42:08 -04:00 |
|
|
|
fce1f8e0af
|
Merge pull request #3687 from akohlmey/collected-small-changes
Collected small changes and fixes
|
2023-03-17 03:56:35 -04:00 |
|
|
|
21c71bf35d
|
mention project boards. remove reference to milestones.
|
2023-03-16 23:36:13 -04:00 |
|
|
|
4a7ab34568
|
lift restriction to Sphinx version < 6.0, enable jquery extension
|
2023-03-16 23:07:18 -04:00 |
|
|
|
a232915e71
|
update example logs for changed granular pair style
|
2023-03-16 22:37:58 -04:00 |
|
|
|
073f21c0d9
|
spelling
|
2023-03-16 22:35:25 -04:00 |
|
|
|
c9b383d3f0
|
grammar
|
2023-03-16 22:18:35 -04:00 |
|
|
|
e7b7d5804e
|
Update URL for EPEL
|
2023-03-16 21:23:02 -04:00 |
|
|
|
08153b7b4d
|
trim list of known plumed source packages.
|
2023-03-16 21:01:32 -04:00 |
|
|
|
4e221803b0
|
Merge branch 'develop' into collected-small-changes
|
2023-03-16 20:53:04 -04:00 |
|
|
|
7c0fdbe2d9
|
Merge pull request #3512 from jtclemm/gran-temp
Refactoring the GRANULAR package
|
2023-03-16 20:47:40 -04:00 |
|
|
|
ea20c934ea
|
print warning when using fix efield with a TIP4P pair style
|
2023-03-16 18:33:23 -04:00 |
|
|
|
bf94448843
|
simplify and avoid segfault without pair style
|
2023-03-16 18:32:54 -04:00 |
|
|
|
5e6004961d
|
Merge branch 'develop' into collected-small-changes
|
2023-03-16 18:00:36 -04:00 |
|
|
|
224b1369a1
|
Merge pull request #3685 from akohlmey/more-tip4p-support
Add TIP4P versions for compute dipole, compute dipole/chunk and fix efield
|
2023-03-16 17:59:58 -04:00 |
|
