ddaba91d12
Typo
2024-09-25 21:02:40 -06:00
7036930360
Patches to fix pour
2024-09-25 15:17:43 -06:00
f633b03602
ensure atom map is reset by fix pour and fix deposit
2024-07-01 09:33:20 -06:00
f815ded1b8
add a few more intensive vs. externsive settings
2024-04-22 22:04:42 -04:00
56d2a791af
whitespace
2023-10-28 14:01:39 -04:00
c5463e13f1
output ninserted for fixes: deposit+pour
2023-10-28 13:22:10 -04:00
c9b383d3f0
grammar
2023-03-16 22:18:35 -04:00
b41d826e0a
Merge branch 'develop' into gran-temp
2023-03-16 17:44:36 -04:00
27da716852
getting out of the insurance business :-)
2023-01-23 16:45:41 -05:00
f671cd7765
Merge branch 'develop' into gran-temp
2022-11-01 14:10:28 -06:00
2132b1d904
update developer reference text
2022-10-24 11:08:26 -04:00
cccf3f6f78
change email for contacting LAMMPS developers, add to homepage checker
2022-10-20 20:36:03 -04:00
92c10cc210
Fixing memory issues, passing lmp ptr to submodels, and other misc fixes/changes
2022-08-24 12:19:27 -06:00
f592e3184e
simplify Molecule::check_attributes()
2022-08-13 16:56:53 -04:00
aa4787f604
complete region handling refactor
2022-04-16 00:17:39 -04:00
c9ab5ebbf5
cosmetic
2022-04-13 12:59:54 -04:00
200b4f13c7
use dynamic cast instead of c-style cast when casting from base type to derived class
2022-04-10 18:18:06 -04:00
c8512249b7
Merge branch 'develop' into modify-fix-compute-accessors
...
# Conflicts:
# src/PLUGIN/plugin.cpp
2021-10-27 21:14:05 -04:00
85433e8bd1
use true/false instead of 1/0 detected and changed by clang-tidy
2021-10-20 12:41:02 -04:00
162789ad7f
Merge branch 'develop' into modify-fix-compute-accessors
2021-10-19 12:00:43 -04:00
064e7fde2f
must not dereference null pointer
2021-10-16 22:30:38 -04:00
5b40e4cb38
new accessor APIs for fixes and computes in Modify plus a few applications
2021-10-16 06:00:28 -04:00
ab30ed4ca9
modernize
2021-10-16 05:35:24 -04:00
09c19a936b
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
d8291eea7b
Merge branch 'master' into prepare-clang-format
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# Conflicts:
# src/MOLECULE/bond_fene.h
# src/MOLECULE/bond_fene_expand.h
2021-05-11 21:49:48 -04:00
3eef759bb1
Merge pull request #2749 from akohlmey/varargs-message-warning
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Make warning and info messages vararg compatible and implement "thermo_modify warn"
2021-05-10 13:41:23 -04:00
b6b70b2033
small tweak
2021-05-07 19:51:13 -04:00
c45008d803
avoid possible deadlock scenario in fix deposit and fix pour
2021-05-07 19:11:21 -04:00
d1941392d3
disable clang-format for all existing .cpp files (for now)
2021-05-05 23:53:38 -04:00
9f4da1128b
remove optional logflag argument from Error::message() and Error::warning()
2021-05-05 16:02:51 -04:00
53f32cea7e
simplify using utils::strdup()
2021-03-25 19:42:41 -04:00
2777eafe98
small fix for previous fix for fix pour and fix deposit
2021-03-05 14:15:59 -05:00
d8daf1da4c
next_reneighbor should be initialized in setup_pre_exchange()
2021-03-05 06:30:41 -05:00
779bbd0853
avoid overflows when computing time or timestep related values
2021-02-06 18:15:24 -05:00
adf74b3a22
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
0f6a34775c
Merge branch 'master' into symbolic-atom-constants
2020-09-15 17:44:31 -04:00
f1ef7d85a8
T2345: Replace instances of NULL with nullptr
...
The following changes have been applied to src and lib folders:
regex replace: ([^"_])NULL ⇒ \1nullptr (8968 chgs in src, 1153 in lib)
Manually find/change: (void \*) nullptr ⇒ nullptr (1 case)
regex find: ".*?nullptr.*?"
Manually ~14 cases back to "NULL" in src, ~2 in lib
regex finds a few false positive where nullptr appears between two
strings in a function call
2020-09-12 09:34:38 -06:00
9d0c3bc665
replace some numeric constants in Atom and AtomVec classes with enumerators
2020-09-11 19:07:55 -04:00
6113169a47
IWYU based include statement cleanup
2020-09-02 17:39:34 -04:00
96d8d12a88
replace calls to force->*numeric() with the corresponding utils::*numeric()
...
this also removes the now obsolete functions from Force
2020-08-29 20:31:02 -04:00
adc04f87f6
whitespace fixes
2020-05-01 08:24:24 -04:00
ecd3652f61
update to current master
2020-04-30 11:57:17 -06:00
73186e4d26
correction to molecule-ID-increment logic
2020-03-08 16:06:49 -06:00
2304cdd30d
let fix pour know about molecule template molecule IDs
2020-03-07 21:58:47 -07:00
db6d272303
more additions to USER atom styles and bug fixes
2019-12-13 13:54:12 -07:00
f704079fb7
remove trailing whitespace
2019-11-12 16:13:01 -05:00
c5b0f0afcf
add documention to FixPour::outside(), simplify logic a bit
2019-11-07 17:06:38 -07:00
fed1a72bb5
Merge pull request #1569 from JunChiehWang/random_deposit
...
throw away random numbers to avoid unexpected correlations
2019-10-30 16:55:45 -04:00
3e2b572efd
Fix special case for outside check in fix pour
...
If the range between lo and hi is bigger than the extent in that dimension, in
the periodic case the value will always be inside.
2019-10-30 12:01:38 -04:00
4a0495aefc
Fixes issue #1695
...
There was a logic error in the outside() function used by fix pour.
The previous implementation was essentially doing this:
outside = outside_pbc_range || outside_regular_range
It should have been:
outside = outside_pbc_range && outside_regular_range
2019-10-29 17:09:29 -04:00
