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
085dec4d3c
Use drop down list to select raw or smooth plot or both. Fix plot color.
2024-08-20 00:02:17 -04:00
4c6beb548e
white on black title. Make page 1 show up in PDF sidebar
2024-08-19 16:26:38 -04:00
7b62f82428
Merge branch 'doc_fixes' into merge-richard
2024-08-19 15:58:42 -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
921f4f678d
Merge pull request #4275 from akohlmey/collected-small-fixes
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Collected fixes and changes for LAMMPS and LAMMPS-GUI
2024-08-19 14:07:24 -04:00
1bd6ba2b19
remove redundant navigation
2024-08-19 13:28:01 -04:00
a46c427de7
spelling
2024-08-19 08:45:56 -04:00
2cda355a92
restore to original for windows
2024-08-19 04:45:32 -04:00
26096d3399
tweak table widths for smoother display as PDF
2024-08-19 04:43:57 -04:00
03df6b276f
restore table column tweaks for @rbberger
2024-08-19 01:36:08 -04:00
75663ab14b
windows hack
2024-08-19 01:21:00 -04:00
c341344873
revert back to old layout. looks better with HTML.
2024-08-19 01:10:01 -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
ca937372f4
fix typo
2024-08-19 00:34:52 -04:00
67e0af8a1b
find LAMMPS python module for force style tests
2024-08-19 00:31:24 -04:00
d39354d569
docs: proposal for pdf title page customization
2024-08-18 22:31:06 -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
a8447b419d
fix bug causing memory corruption and clean up lmp_f2c.h header
2024-08-18 21:34:15 -04:00
67dccdc52f
make "invisible" first page of manual show up in table of contents
2024-08-18 18:56:45 -04:00
a8a66211c0
add some more advertisement for LAMMPS-GUI
2024-08-18 18:55:59 -04:00
80ff92d172
modernize, improve error output
2024-08-18 18:49:16 -04:00
3f9d244281
spelling
2024-08-18 17:36:11 -04:00
0735e976ff
Merge branch 'doc_fixes' of github.com:jmgoff/lammps_compute_PACE into collected-small-fixes
2024-08-18 17:32:06 -04:00
a5695829a9
refer to icc as Intel Classic Compiler
2024-08-18 17:28:54 -04:00
90a595f519
"back end" keeps the spellchecker happier and is just as well.
2024-08-18 17:28:34 -04:00
b3a7d4dc95
revert white on black PDF title page
2024-08-18 17:28:03 -04:00
4b01401815
more consistent fix average notation
2024-08-18 15:04:58 -06:00
cac32085a7
Merge branch 'doc_fixes' of https://github.com/rbberger/lammps into collected-small-fixes
2024-08-18 16:45:48 -04:00
2b879324f0
minor doc fix
2024-08-18 14:00:58 -06:00
84c102fe36
docs: proposal for pdf title page customization
2024-08-18 13:20:40 -06:00
216be2e96f
docs: complete howto review
2024-08-18 13:20:00 -06:00
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
b7cf79a7b9
docs: start with howto section
2024-08-18 07:59:29 -06:00
0b54a0b1e3
docs: add :lammps: role
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This allows to write :lammps:`command` for inline highlighting of LAMMPS
code.
2024-08-18 07:42:46 -06:00
05857315d8
docs: fixup Packages_list.rst table
2024-08-18 07:41:06 -06:00
271ae19fe7
must use overload wrapper on Qt5
2024-08-18 06:03:41 -04:00
