cf2dede47f
whitespace
2024-06-21 12:20:59 -04:00
eba1599f9c
typo comment change
2024-06-21 09:35:10 -06:00
de684a15b6
typo code change
2024-06-21 09:33:12 -06:00
fc539b46ea
change all function ptrs and 2 example dump files
2024-06-21 09:23:04 -06:00
7dae9c05ba
changes for triclinic function ptr init
2024-06-21 08:59:09 -06:00
11ef510a93
Merge branch 'lammps:develop' into improve_type_label_support
2024-06-13 19:26:42 -04:00
bd5c600608
dump custom, 'typelabel' attribute
...
writing strings to dump files previously was not implemented in general way.
did not refactor to make more general.
NOTE: added value to middle of enum
2024-05-27 23:58:58 -04:00
e9d22ec7f9
Clarify error message
2024-04-30 09:19:03 +02:00
f1c2a22e2d
more tweaks
2024-04-08 16:25:17 -06:00
01d412bdbf
Merge branch 'develop' into general-triclinic
2024-03-08 21:32:01 -05:00
dd4cd240df
Moving temp/heat keywords out of dump to compute prop/atom
2024-02-23 14:31:40 -07:00
7905e5d146
Merge branch 'develop' into general-triclinic
...
# Conflicts:
# src/atom.cpp
2024-01-29 21:05:21 -05:00
12422ff510
replace defines with static constexpr declarations
2024-01-21 15:53:35 -05:00
a473d6f347
refactor dump code to no longer need access to internal Modify class data
2024-01-21 14:42:57 -05:00
45372937db
loads of whitespace fixes
2023-12-01 14:52:47 -05:00
dfafdff209
finalized dump command support for general triclinic
2023-11-20 12:06:58 -07:00
201f8cda9a
more updates
2023-10-12 06:49:59 -06:00
30f7328841
more dump custom fields rotated
2023-09-14 16:00:25 -06:00
1ab26e083a
more general tri support in dump atom and dump custom
2023-09-06 10:11:04 -06:00
1ed8dd6906
add general triclinic options to dump custom
2023-09-04 15:26:55 -06:00
2da908190b
make error messages consistent and improve their grammar
2023-07-21 11:24:57 -04:00
0b57ea246c
update dump styles to use Compute::is_initialized()
2023-07-20 21:48:51 -04:00
268faf935b
avoid overeager flagging of errors for arguments to derived classes
2023-07-03 10:32:24 -04:00
a38e0fb47b
restore clang-format comments
2023-06-23 08:22:31 -04:00
fcc3c99e2b
avoid segfaults if a dump is created and followed by run pre no
2023-06-20 13:31:16 -04:00
a20ed8e5e4
improve error messages for dump style custom
2023-06-16 12:13:22 -04:00
49ac79fcdd
change error checks for computes that are not current
2023-05-08 08:55:40 -06:00
b41d826e0a
Merge branch 'develop' into gran-temp
2023-03-16 17:44:36 -04:00
17f39d9d2c
rename fix STORE/PERATOM to STORE/ATOM
2023-03-13 22:33:47 -04:00
3815c0ef76
modify fix STORE/PERATOM and callers to allow ghost comm
2023-03-13 17:00:54 -06:00
f175a15627
Merge branch 'develop' into gran-temp
2023-01-10 09:58:50 -07:00
3e053adfbe
Print warning about unsorted custom dumps without atom IDs. Explain in manual.
2023-01-05 22:44:32 -05:00
b4118c51cc
merged in current master
2022-11-04 08:22:18 -06:00
f671cd7765
Merge branch 'develop' into gran-temp
2022-11-01 14:10:28 -06:00
f66179f336
Removing old contact files, fixing capitalization in dump_custom.cpp
2022-10-28 16:38:32 -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
cca7a53132
Patching heat implementation and adding example
2022-09-25 14:53:53 -06:00
e2df4ed2a7
Merge branch 'develop' into distributed-grids
...
# Conflicts:
# doc/src/Developer_utils.rst
# doc/src/dump.rst
# doc/src/fix_ave_chunk.rst
# src/utils.h
2022-09-12 18:31:29 -04:00
7bba3c516f
avoid excess string copy in auto loops
2022-09-01 16:02:32 -04:00
ccf6c2d55a
Merge remote-tracking branch 'github/develop' into distributed-grids
2022-08-18 15:18:27 -04:00
da3e723351
Merge branch 'develop' into distributed-grids
2022-08-18 15:10:44 -04:00
301d379db8
Merge branch 'develop' into refactor-find-xxx
2022-08-16 18:05:33 -04:00
0cac041ad4
avoid segfault when using a custom format with too many format specifiers
2022-08-16 18:03:07 -04:00
3292ee8299
Fixed the last change to modify_params function
2022-08-14 10:21:49 +08:00
58800b5191
enable relancing to work with distributed grids
2022-08-11 13:28:50 -06:00
6c32058728
adapt all users of FixStore to use FixStoreGlobal or FixStorePeratom
2022-08-04 11:33:14 -04:00
1faa7397d3
Fixing complier issues, adding dump options, initail conduction
2022-06-18 10:11:57 -06:00
69d9c5187e
refactor group access, enable and apply clang-format
2022-04-15 15:29:43 -04:00
74f2b67b1a
no if statement required before delete[]
2022-04-10 19:55:24 -04:00
