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
584ae26fe6
whitespace
2022-09-09 12:48:14 -04:00
34d0c417f8
another indentation reformat
2022-09-09 10:39:07 -06:00
9bff046190
fix issue with dump snapshots in a run after a minimize possibly being non-multiples of N
2022-09-09 10:28:33 -06:00
0b38cbea2d
add get_dump_by_index() function
2022-08-11 09:46:22 -04:00
aab62d5ed9
add get_dump_list() function
2022-08-11 03:14:59 -04:00
c574ed51b5
modernize and simplify
2022-08-11 03:04:58 -04:00
e8e6beed50
find dump is no longer used
2022-08-11 01:52:42 -04:00
4077c5c8ba
add get_dump_by_id() API that mirrors other recent additions
2022-05-12 14:48:03 -04:00
0577bb6269
use Output::add_dump() and the dump_creator map and templates etc.
2022-05-12 14:47:16 -04:00
aff72c56a5
make Output::add_dump() return pointer to the created dump
2022-05-12 14:46:02 -04:00
2b1716cb3a
fix more bugs with dump_modify every/time
2022-05-05 00:06:08 -04:00
e897ab7611
improve error messages
2022-05-04 16:25:12 -04:00
39b316729b
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
4efdfaa8f3
simplify and make consistent, fix time based dump bug
2022-04-08 07:05:30 -04:00
f5ebfbf90b
refactor thermo output processing and add new yaml thermo style
2022-03-19 16:39:09 -04:00
6a0e93a18a
convert more style_creators to use local static functions
2022-02-11 18:29:52 -05:00
241a44f1af
another workaround for rerun
2022-01-18 04:56:47 -05:00
aa71ea6c40
Merge branch 'collected-small-changes' of github.com:akohlmey/lammps into collected-small-changes
2022-01-14 20:25:05 -05:00
e271a54802
re-enable using rerun after the changes from PR #3052
2022-01-14 20:25:00 -05:00
11cc8a6a59
whitespace
2022-01-14 15:59:05 -05:00
2213eb8d3f
use enum with symbolic constants instead of numbers
2022-01-14 14:45:12 -05:00
e5c517c8d8
silence compiler warnings
2022-01-01 00:21:14 -05:00
b39d1993bb
Merge pull request #3052 from lammps/time-dumps2
...
Time-dependent dumps for variable timestep (alternate implementation)
2021-12-23 16:34:12 -05:00
a653ee6b2c
recover failing unit tests and whitespace fixes
2021-12-23 15:22:58 -05:00
3748a14582
warn about problems with the MPIIO package
2021-12-23 01:59:45 -05:00
ded48cc031
more optimizations and extend to other dump styles
2021-12-21 10:57:42 -07:00
4d31e300c6
change to checking timestep for time dumps at start of each step
2021-12-20 16:39:17 -07:00
06c45fbe68
fix compiler errors
2021-12-20 14:26:22 -07:00
5ead32f886
more debugging and features
2021-12-10 11:13:06 -07:00
e2969d09e1
bug fix for fix dt/reset freq of 1
2021-12-09 11:53:47 -07:00
d4149e9139
bug fixes to make a series of test inputs run correctly
2021-12-08 16:44:51 -07:00
26492b13d5
logic for dumps every steps and time delta
2021-12-07 13:46:36 -07:00
1afdd3c011
new output vars for dumps
2021-12-07 09:16:19 -07:00
385220fd4b
format changes
2021-09-17 22:50:15 -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
d2cdb318ab
apply new logmesg() overload to a bunch of cases.
2021-04-21 23:38:45 -04:00
fab571cf6b
IWYU reported header updates
2021-04-13 00:47:49 -04:00
eb90fcecb1
simplify using utils::strdup()
2021-03-16 09:39:45 -04:00
cf427bcad8
apply utils::strdup() in a few more cases
2021-02-04 17:52:32 -05:00
4e791ac4f7
replace 'strstr(xxx,"x_") == xxx' with utils::strmatch("^x_")
2021-02-04 15:20:43 -05:00
adf74b3a22
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
cebf6d33ba
Merge pull request #2358 from eagunn/iss2345
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Replace instances of NULL with nullptr
2020-09-15 17:41:24 -04:00
4b64be77e0
consolidate memory allocation information into a single function (in Info)
2020-09-15 01:59:58 -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
390c6ba106
rechecking some corefiles with IWYU after the many updates
2020-09-03 15:28:07 -04:00
a4a1f7e848
more IWYU cleanup
2020-09-02 23:49:17 -04:00
