1d4e2d7867
another chunk of added/updated/modernized internal compute checks at Fix::init()
2024-12-27 04:18:01 -05:00
c6fdd8ddb6
get rid of some non-ASCII characters
2024-09-25 22:01:42 -04:00
a6261d75b9
some more define to static constexpr conversions
2024-01-24 21:14:19 -05:00
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
080662683d
use tokenizer to read neb initial replica files
2022-03-22 20:54:42 -04:00
09c19a936b
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
d1941392d3
disable clang-format for all existing .cpp files (for now)
2021-05-05 23:53:38 -04:00
4738337e47
update/trim list of include files according to the IWYU principle
2021-04-24 13:22:39 -04:00
dfb18caf5a
simplify using utils::strdup(), update order of include files
2021-03-27 16:25:55 -04:00
adf74b3a22
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
024c9238f9
fix issue spotted by compiler warning
2020-10-03 09:51:28 -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
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
416911aa7e
more rearranging of include file order to put implementation headers first
2019-07-03 21:57:39 -04:00
fc1d8f2cbf
more cleanup of include file handling. starting to work on files in packages
2019-07-02 05:15:30 -04:00
0bb2e004ab
Commit JT 042919
...
- corrections Axel 1
2019-04-29 08:08:56 -06:00
930748f6f2
change neb/spin class names to better match the conventions used in the rest of LAMMPS
2019-04-27 13:16:37 -04:00
6fc2bda01c
some whitespace cleanup
2019-04-27 07:52:25 -04:00
57247142d2
Commit2 JT 040819
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- finished doc (compiled and spell check)
- compiled with -Wall -Wextra, unused var. removed
2019-04-08 11:08:06 -06:00
a0e5d14990
Commit JT 040119
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- corrected tangent vector projection
- output verbose (Gradidottan)
2019-04-01 15:53:36 -06:00
44fe8330b9
Commit JT 032719
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- commit before wok output
2019-03-27 14:59:12 -06:00
676370ade7
Commit JT 032619
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- added citeme in neb/spin
- started work on distance output
2019-03-26 07:21:16 -06:00
2cbf56846a
Commit JT 032019
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- moved gneb files from src/REPLICA to src/SPIN
- changed name of min/spin
- implemented read_param in min.cpp and min_spin.cpp
- set sp_flag tests in min_spin.cpp and neb_spin.cpp
2019-03-20 10:41:36 -06:00
