f7cea5e428
improve error messages
2025-01-02 19:38:10 -05:00
9e1bf78201
enforce initialization
2024-08-01 22:12:18 -04:00
5dff36aa43
apply clang-format
2024-07-31 06:49:55 -04:00
59fb8a6835
avoid segfault trying to delete non-copied style
2024-06-15 14:08:14 -04:00
08edd193e2
programming style updates
2023-10-21 14:57:26 -04:00
a7fb81c68e
must initialize deleted pointers to null since the following commands may fail
2023-10-21 14:57:26 -04:00
127dcd5613
fix cut-n-paste error
2023-10-05 13:16:03 -04:00
a6767c85b0
apply clang-format
2023-08-04 12:11:59 -04:00
0104824727
remove min style fire/old
2023-01-11 07:33:16 -05:00
ccea984c4c
expand pair_only_flag processing to also apply to other suffix handlers
2022-10-31 21:47:40 -04:00
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
ba3aa8fab5
remove NULL option for reset_timestep
2022-05-04 16:21:06 -04:00
f8742d599b
merge set_time command into reset_timestep
2022-05-04 13:24:52 -04:00
8cb47c8504
change update of dynamic groups to post_force location in timestep
2022-04-21 15:02:47 -06:00
7824e43339
Change Update::reset_timestep() API so that rerun can bypass the time depended fix check
2022-02-27 11:35:34 -05:00
6a0e93a18a
convert more style_creators to use local static functions
2022-02-11 18:29:52 -05:00
5ead32f886
more debugging and features
2021-12-10 11:13:06 -07:00
d4149e9139
bug fixes to make a series of test inputs run correctly
2021-12-08 16:44:51 -07:00
4f0f791417
use new API, join loops, modernize
2021-10-31 17:37:43 -04:00
a71b77c06e
simplify. use utils::strdup() more.
2021-09-17 22:51:59 -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
...
# Conflicts:
# src/MOLECULE/bond_fene.h
# src/MOLECULE/bond_fene_expand.h
2021-05-11 21:49:48 -04:00
d1941392d3
disable clang-format for all existing .cpp files (for now)
2021-05-05 23:53:38 -04:00
22e93468d6
simplify code by appling varargs messages and warnings
2021-05-05 18:19:12 -04:00
2f8770971c
make use of utils::strdup() and simplify
2021-03-16 01:17:10 -04:00
09e33fd342
fix bugs found by or avoid warnings from coverity scan
2021-02-26 15:55:20 -05:00
382ade15fe
more consistent formatting of for/while loops and if statements
2020-12-30 09:09:08 -05:00
c24f7acdd0
Avoid passing invalid pointer during integrator creation
2020-11-02 11:00:36 -05:00
6b2a98b537
ad few more manual updates of outdated, mistyped or no longer available URLs
2020-10-21 17:19:33 -04:00
adf74b3a22
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
243a81e9d8
must initialize eflag_atom and vflag_atom to zero in constructor
2020-10-01 14:49:23 -04:00
cebf6d33ba
Merge pull request #2358 from eagunn/iss2345
...
Replace instances of NULL with nullptr
2020-09-15 17:41:24 -04:00
326d9f398c
Merge branch 'master' into iss2345
2020-09-15 14:06:16 -04:00
3576464268
Merge branch 'master' into consistent-memory-usage
2020-09-15 12:25:16 -04:00
2f3c73217b
detect if dt has been changed from default and print warning if reset by units command
2020-09-15 10:50:44 -04:00
0183e999c9
consistently return "memory_usage" as double.
2020-09-15 01:59:58 -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
9925122cea
more IWYU updates
2020-09-03 00:22:09 -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
da66516dec
use references when creating styles
2020-07-13 09:40:58 -04:00
84ec2cc39b
simplify more code with std::string and fmtlib
2020-06-25 23:13:28 -04:00
31aa68db31
remove unused variables and reduce unused parameter warnings
2019-10-14 16:42:21 +02:00
02e6ce32ea
Add Kokkos version of minimize
2019-08-28 09:41:15 -06:00
2c0eeeb976
one more chunk of files in src folder to be cleaned up
2019-07-05 14:43:20 -04:00
256531a29a
put implementation header first for all remaining main folder source files
2019-07-03 19:34:13 -04:00
f190647ab4
use snprintf() instead of sprintf() to avoid buffer overflows when copying style names
2019-06-21 21:23:20 -04:00
9202896e75
bug fix for compute cluster/atom when computing values used to update a dynamic group
2018-08-08 09:31:16 -06:00
e4071d7f46
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
8bbefb6187
more meaningful output for electron units. fix bug in time unit to fs conversion
2018-03-21 20:12:14 -04:00
