Commit Graph

43821 Commits

Author SHA1 Message Date
f577dcb28b Merge pull request #4570 from akohlmey/collected-small-changes
More small changes to recover builds of "develop"
2025-04-25 16:30:16 -04:00
d416202b71 restore missing blank 2025-04-25 16:16:15 -04:00
46f4f5a3c0 move JSON class back to try recover legacy builds 2025-04-25 16:11:11 -04:00
9b258d4c82 try another variant 2025-04-25 15:51:39 -04:00
1597019419 another small tweak 2025-04-25 15:44:52 -04:00
c8b841b08e small tweak 2025-04-25 15:31:32 -04:00
3b9ddf7a1f spelling 2025-04-25 14:59:42 -04:00
cab78b2c0d correct docs related to adding explicit Coulomb interactions 2025-04-25 14:15:01 -04:00
734bc915e2 must include third_party folder with legacy build 2025-04-25 14:14:20 -04:00
3c5e85a7c0 Merge pull request #4550 from akohlmey/collected-small-fixes
Collected small changes and fixes
2025-04-25 13:46:59 -04:00
9e26d8b569 Missing derivative for RK0 2025-04-25 10:19:28 -06:00
43fcf6eccc use ioffset variable. 2025-04-25 11:44:03 -04:00
d25d0cbc7e Merge pull request #4562 from mateors6/lj/pirani
Add pair style lj/pirani
2025-04-25 11:27:58 -04:00
8e07d48518 GitHub has stopped support for subversion in 2024. Remove note from 2016. 2025-04-24 18:42:19 -04:00
d4ba5d1fe6 Fixing bug in minimum density 2025-04-24 10:53:17 -06:00
a1fc036e25 Fix typo in src/timer.cpp
Co-authored-by: Copilot <175728472+Copilot@users.noreply.github.com>
2025-04-24 07:53:05 -04:00
ad086f26a5 Update version added 2025-04-24 10:42:42 +01:00
20d3d47fe3 Update pair_lj_pirani.rst 2025-04-24 09:18:41 +02:00
2d70947044 two more workarounds for compilation with -DFMT_STATIC_THOUSANDS_SEPARATOR 2025-04-23 21:00:40 -04:00
4126c9ed75 implement workaround for compilers that require -DFMT_STATIC_THOUSANDS_SEPARATOR 2025-04-23 14:20:10 -04:00
2e8b95f0c1 Update pair_lj_pirani.rst
Documentation update
2025-04-23 19:34:06 +02:00
f9dc879033 add comment to indicate that setting the pointer to null has no effect in sfree.
You need Memory::destroy() but that can't be applied to all use cases.
2025-04-23 08:41:56 -04:00
b1159dc528 fix up to Copilot suggested code change 2025-04-23 05:58:10 -04:00
1352257cf4 Use modern C++ code pattern to build c-style argument list
This was suggested by GitHub Copilot

Co-authored-by: Copilot <175728472+Copilot@users.noreply.github.com>
2025-04-23 05:51:53 -04:00
6629ecff2d implement function to add request for single occasional neighbor list 2025-04-22 21:44:45 -04:00
648cd3f0c6 Temperature bias capability 2025-04-22 17:43:21 -07:00
9e9caf7d14 dummy implementation of single neighbor list build 2025-04-22 16:02:51 -04:00
290ca2a095 Update pair_lj_pirani.rst
Corrections
2025-04-22 21:13:22 +02:00
73fe2f7915 Update extract(), document, and test 2025-04-22 11:28:17 -04:00
d10e5dded2 Add OPENMP package version of pair style lj/pirani 2025-04-22 11:27:41 -04:00
bbc025632d apply clang-format 2025-04-22 10:50:24 -04:00
dbe98e2cfb update embedded JSON class to version 3.12.0 2025-04-22 10:37:29 -04:00
25307b049c Update and rename mol-pair-lj_improved_cut.yaml to mol-pair-lj_pirani.yaml
New name
2025-04-22 14:55:38 +02:00
da903e6d44 Update and rename pair_lj_improved_cut.h to pair_lj_pirani.h
New name
2025-04-22 14:53:15 +02:00
f9ba8caf4a Update and rename pair_lj_improved_cut.cpp to pair_lj_pirani.cpp
New name
2025-04-22 14:51:27 +02:00
7221e3993a Update .gitignore
New name
2025-04-22 14:48:11 +02:00
0673ac6acf Update pair_style.rst
New name
2025-04-22 14:47:24 +02:00
fcc4092e83 Update and rename pair_lj_improved_cut.rst to pair_lj_pirani.rst
New name
2025-04-22 14:45:52 +02:00
26ab7cd20d Update Commands_pair.rst
New name
2025-04-22 14:44:05 +02:00
385f350918 Removed debug code from unrelated files in MANYBODY and MC 2025-04-21 15:50:14 -06:00
04732e2efd Removed debug code from unrelated files in MANYBODY and MC 2025-04-21 10:08:27 -06:00
7bfc15ff2c Address akohlmey comments 2025-04-21 10:06:50 -06:00
d5c4f9c158 Fixed whitespace 2025-04-20 11:01:38 -06:00
0ff17967b0 Merge branch 'fix_omp_detection' of github.com:rbberger/lammps into collected-small-fixes 2025-04-20 10:37:04 -04:00
4e69046e54 cmake: fix omp.h detection
CMAKE_REQUIRED_LINK_OPTIONS needs to be a ;-separated list.
See https://cmake.org/cmake/help/latest/module/CheckIncludeFileCXX.html.
Fixes OpenMP detection with AppleClang when libomp is manually provided.
2025-04-20 00:40:24 -06:00
75d620c0a7 Fixed doc page 2025-04-19 18:21:39 -06:00
fc0a41fb71 Added atomic/energy keyword, EAM support, correct for examples/MC/in.sgcmc.eam in serial 2025-04-19 18:15:43 -06:00
6988c2f13e Typo in rheo doc 2025-04-19 10:55:19 -06:00
c088ce2f51 fix typo 2025-04-19 11:05:52 -04:00
699e5bee07 Merge branch 'fix_cmake_list' of github.com:alinelena/lammps into collected-small-fixes 2025-04-19 11:02:45 -04:00