66d6804d23
apply clang-format to some pair style headers
2024-08-22 15:43:55 -04:00
022d1d7959
get-quick-list.py script is feature complete
2024-08-22 15:41:31 -04:00
61fd2ba25c
apply clang-format to have some files with changes
2024-08-22 11:40:26 -04:00
9e314b6a06
Merge pull request #4291 from lammps/extend-verlet-split
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Add error checks to verlet/split for unsupported KSpace methods
2024-08-21 20:07:42 -04:00
f36e09720a
Merge pull request #4287 from akohlmey/collected-small-fixes
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Collected small fixes and updates for LAMMPS and LAMMPS-GUI
2024-08-21 17:51:58 -04:00
c8b485a2df
improve error message
2024-08-21 17:48:01 -04:00
9b46cd9a3a
add error checks to verlet/split
2024-08-21 15:23:27 -06:00
b4eb027851
Merge pull request #4289 from lammps/grid-debug
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Fix 2 bugs with distributed grids
2024-08-21 17:21:35 -04:00
d1fb321eae
Merge branch 'develop' into small-patches
2024-08-21 16:04:40 -04:00
aca36d1e6a
apply clang-format
2024-08-21 15:17:28 -04:00
a541873b41
2 bug fixes
2024-08-21 10:28:24 -06:00
47b5b2dfa3
throw error when trying to use neigh_modify exclude with dynamic groups
2024-08-21 10:34:20 -04:00
cdbec96e07
enable and apply clang-format
2024-08-21 09:00:11 -04:00
4e947a9003
debugging
2024-08-20 17:28:36 -06:00
5665f29e03
move to proper place
2024-08-20 09:31:57 -04:00
19d6227220
plug memory leaks in testers
2024-08-20 09:19:58 -04:00
2b485a3f62
be more paranoid about cleaning up
2024-08-20 04:10:15 -04:00
80ea7ac120
plug another memory leak
2024-08-20 01:26:48 -04:00
02752ddf6a
don't leak memory when throwing an exception
2024-08-20 01:15:53 -04:00
8cfd856296
plug small memory leak
2024-08-20 00:50:24 -04:00
1809115c64
avoid uninitialized access to next_thermo and next_restart from reset_dt()
2024-08-20 00:12:29 -04:00
c299c94ebc
Merge pull request #4262 from jrgissing/type-labels-for-pair_style_commands
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Type label support for pair_style commands
2024-08-19 15:02:23 -04:00
4c15ac99a3
expand_type_int verify->bool
2024-08-18 23:05:52 -06:00
1afa56e0da
expand_type_int: optional flag to check types
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verifying type could probably be default, except for historical reasons
would involve removing redundant checks after calling routine
2024-08-18 22:39:01 -06:00
5902d81eca
Revert "use memory create/destroy for allocating MPI objects which prefer 16 byte alignment"
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This reverts commit 827d4709ac
2024-08-19 00:16:50 -04:00
3edcc9ac00
silence compiler warnings
2024-08-19 00:04:50 -04:00
88583a862e
cosmetic
2024-08-18 23:15:07 -04:00
827d4709ac
use memory create/destroy for allocating MPI objects which prefer 16 byte alignment
2024-08-18 23:14:53 -04:00
80ff92d172
modernize, improve error output
2024-08-18 18:49:16 -04:00
e5876b3b36
convert to c++ style declarations
2024-08-18 14:55:46 -04:00
0e1863d9bb
correct forward declaration
2024-08-18 14:55:24 -04:00
80fefbb3f8
Various small cleanups to RHEO package flagged by compiler warnings
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The individual changes are:
- remove of unused function parameters
- replace non-standard variable length arrays on the stack with static ones
- disable citation removed from the manual
- replace #defined constants with enum or static constexpr
- enable and apply clang-format
2024-08-18 13:01:31 -04:00
5a85702752
don't print multi-line messages multiple times
2024-08-18 11:38:24 -04:00
ffc04aaf7c
silence compiler warnings
2024-08-18 11:02:01 -04:00
b6b2cc0667
Merge branch 'doc-updates' of https://github.com/jtclemm/lammps into collected-small-fixes
2024-08-16 16:34:30 -04:00
5111170d8f
modernize access to fixes and flag incompatible wall fixes
2024-08-16 16:10:36 -04:00
2db37c9a35
fix issues with compute smd/vol and related docs
2024-08-16 14:58:47 -04:00
4aaf7d7098
fix LATBOLTZ example
2024-08-16 14:51:29 -04:00
635f6000eb
improve error messages, especiall for compile time selected options
2024-08-16 12:49:04 -04:00
661e2e74fb
make table widths explicit and tweak them to improve readability in PDF
2024-08-16 00:25:25 -04:00
dca156eacc
Edits to devleoper doc files 2
2024-08-15 17:12:39 -06:00
68b808d3b5
precompute random numbers to avoid memory corruption with multi-threading
2024-08-15 00:25:28 -04:00
298fb4eb3f
Merge branch 'doc-pdf-GClavier' of https://github.com/Bibobu/lammps into collected-small-fixes
2024-08-14 22:30:19 -04:00
a796554096
use explicit column widths and tweak them for good display in PDF. HTML is unaffected
2024-08-14 22:29:19 -04:00
bc492afe1c
tweak size of tables
2024-08-14 21:34:17 -04:00
9ab9212612
Changed docstring of lammps_create_atoms to avoid weird formatting in
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Manual.pdf
2024-08-14 21:57:56 +02:00
7ecdea20eb
fix issue with pair style srp that broke regression test
2024-08-14 05:16:45 -04:00
35cf16b109
Update pair_srp.cpp
2024-08-13 18:49:53 -04:00
726311f8d2
Update pair_e3b.cpp
2024-08-13 18:48:35 -04:00
09af3e0fac
initialize pointers in constructor. removed commented out code
2024-08-13 17:07:28 -04:00
