995d6ab41f
Merge branch 'develop' into next_release
2025-02-03 17:55:37 -05:00
848a4300fe
Merge branch 'develop' into collected-small-fixes
2025-02-03 14:54:38 -05:00
06506aa23b
Merge pull request #4415 from evoyiatzis/patch-2
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Allow definition of prism region using equal style variables
2025-02-03 14:50:00 -05:00
6dfc4f343c
update copyright date
2025-02-02 04:41:02 -05:00
d1e65d0b9a
remove extra comma
2025-02-01 22:33:32 -05:00
d17186a8fa
remove multi/old from docs and print deprecation warning when used
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also convert error messages to use new error location indicator API
2025-02-01 15:29:27 -05:00
e9e4addacb
remove remaining references to removed minimizer style fire/old
2025-02-01 11:46:35 -05:00
3f5630c073
clarify and explain that there may not be neighbor list statistics data
2025-02-01 09:19:33 -05:00
21f77a9275
update docs for Error::ARGZERO constant
2025-01-31 21:53:29 -05:00
7d7cdf3e08
get past spell checker
2025-01-31 17:50:06 -05:00
9eb3e35255
add error URLs for molecule files
2025-01-31 17:49:49 -05:00
6f6adc05ce
reassign error URL numbers to match list in pull request
2025-01-31 17:49:24 -05:00
1df1b3e2fc
Merge branch 'develop' into patch-2
2025-01-31 12:22:18 +02:00
42e379a8de
Merge remote-tracking branch 'github/develop' into add-error-explanations
2025-01-31 03:23:51 -05:00
030ad0d5af
set version string to 4Feb2025
2025-01-30 17:22:28 -05:00
b98797ec2c
Merge remote-tracking branch 'github/develop' into small_fixes
2025-01-30 16:19:38 -05:00
c2dd04b991
replace non-ASCII chars with ASCII equivalents
2025-01-30 16:05:08 -05:00
48893236ec
Merge pull request #4380 from rbberger/python_computes
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Python and library API changes for computes
2025-01-30 14:21:25 -05:00
75b33ac436
Merge pull request #4443 from jrgissing/reaxff/species-issues
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Reaxff/species issues
2025-01-30 14:20:01 -05:00
4e3a41dc25
Merge pull request #4446 from jtclemm/small-patches
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Miscellaneous small patches
2025-01-30 12:51:50 -05:00
363309a7d8
add tip for addressing memory management issues with ReaxFF
2025-01-30 03:57:30 -05:00
444c6d78f7
consistently use a :class: qualifier for admonitions
2025-01-30 03:54:26 -05:00
2b0a6419b7
add missing doc section for fix python/invoke
2025-01-29 23:57:44 -07:00
c4106f9d09
Merge remote-tracking branch 'github/develop' into recover-failed-tests
2025-01-29 19:39:58 -05:00
f5a8019654
spelling fixes and updates for the manual
2025-01-29 16:39:53 -05:00
f928df87a1
Merge branch 'develop' into develop-eipifun-with-doc
2025-01-28 19:42:13 -05:00
800a5f6310
Merge pull request #4409 from willzunker/mdr-rebase2
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pair_style granular - MDR contact model
2025-01-28 16:33:27 -05:00
005433c7e3
Merge branch 'develop' into develop-eipifun-with-doc
2025-01-28 12:45:16 -07:00
2c3f0d65ac
update docs
2025-01-27 20:58:49 -05:00
026da76a3b
cutoff radius related items
2025-01-27 14:16:18 -08:00
5d47c417ed
add fortran interface for lammps_clearstep_compute()
2025-01-27 14:26:53 -05:00
3a986fb50d
Merge remote-tracking branch 'github/develop' into python_computes
2025-01-27 11:15:42 -05:00
4c22410548
docs: molIDs range from 1 to # molecules
2025-01-25 23:41:35 -05:00
281336800a
Another error url for nbins
2025-01-25 15:05:50 -07:00
9fb8cc1d17
drafting error urls for nbin classes
2025-01-25 14:59:55 -07:00
6fb318f61c
Merge branch 'develop' into collected-small-changes
2025-01-23 20:22:14 -05:00
a0fcbc9b71
Merge pull request #4442 from akohlmey/freeze-fmt-lib-prepare-std_format
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Freeze fmt library at version 10.2.1 and add changes that prepare LAMMPS for transition to std::format
2025-01-23 20:21:42 -05:00
b9a8ddbb8c
add versionadded tag
2025-01-23 12:12:46 -05:00
b5da9ce3e2
Merge remote-tracking branch 'github/develop' into collected-small-changes
2025-01-23 12:06:59 -05:00
f8484de195
more details about current and future compiler requirements
2025-01-23 12:02:51 -05:00
a771277a6c
Merge branch 'develop' into add-error-explanations
2025-01-23 11:35:55 -05:00
d7ffa16817
small correction
2025-01-23 11:20:36 -05:00
49dc526bc8
doc fix for kspace_modify from @ndtrung81
2025-01-23 10:06:37 -05:00
b016b135fa
added Compute::modify_param() function.
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This way individual computes can add custom keywords to compute_modify in
a similar fashion as fixes
2025-01-23 04:51:12 -05:00
048b96af65
Merge branch 'develop' into mala
2025-01-23 09:44:00 +01:00
8baec60155
implement an utils::print() function similar to fmt::print()
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this doesn't have the constexpr requirement for the format string.
also it will help porting to std::format in C++20, which doesn't
have a similar functionality either.
2025-01-23 00:03:30 -05:00
3012e02de1
Merge branch 'develop' into add-error-explanations
2025-01-22 18:26:21 -05:00
e548c656ce
Merge pull request #4435 from athomps/hybrid-scaled-peratom
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Hybrid scaled peratom
2025-01-22 18:00:18 -05:00
3bb26ae87b
Merge branch 'develop' into mala
2025-01-21 17:11:43 +01:00
75f4d3deb7
Merge branch 'develop' into small-patches
2025-01-20 16:25:07 -07:00
