877d6e7f86
remove whitespace
2024-04-08 10:49:53 -06:00
c2b91ccc8a
better documention and error checking for 2d general triclinic
2024-04-08 10:43:20 -06:00
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
fbb9c69771
fix initialization bug
2023-12-01 16:23:49 -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
56b2c7ed46
alter how lattice interacts with create_box and create_atoms for general triclinic
2023-11-17 17:10:45 -07:00
4735534139
enforce atom z coords = 0.0 for 2d simulations
2023-09-06 09:05:02 -06:00
d6d65f001a
enforce atom z coords = 0.0 for 2d simulations
2023-09-06 09:04:10 -06:00
78fbdad59e
code cleanup
2023-09-02 18:46:58 -06:00
8c3ab47fd6
more debugging for fcc example
2023-09-01 22:58:10 -06:00
817a16b48c
work on create_atoms command
2023-09-01 14:38:22 -06:00
7462439b5d
mods to change_box
2023-09-01 12:15:51 -06:00
f6d6e1ef01
remove workaround that is no longer needed
2022-12-09 16:23:10 -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
93e9382006
Merge branch 'improve-errors' of github.com:crackboy88/lammps into improve-errors
2022-08-18 21:09:27 +08:00
ff9c02f053
improved error messages in pair and input.cpp
2022-08-18 21:08:36 +08:00
5ff56753da
update unit tests for changed error messages
2022-08-17 23:56:22 -04:00
9beb60c713
improve error messages in change_box,create_box,domain,input,lattice and neighbor.cpp
2022-08-18 11:22:36 +08:00
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
adf74b3a22
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
f1ef7d85a8
T2345: Replace instances of NULL with nullptr
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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
45f80f4f06
more include file updates found by iwyu
2020-09-02 22:52:22 -04:00
96d8d12a88
replace calls to force->*numeric() with the corresponding utils::*numeric()
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this also removes the now obsolete functions from Force
2020-08-29 20:31:02 -04:00
e2cedebd29
more enumerator to class definition in header, so it can be accessed by tester
2020-08-12 22:16:49 -04:00
40e3fcd750
tweak output format
2020-07-13 18:58:43 -04:00
7488f22981
reduce excess precision in some output data
2020-06-30 10:11:52 -04:00
c4855d95e7
more use of utils::logmesg() and {fmt}
2020-06-26 07:23:22 -04:00
256531a29a
put implementation header first for all remaining main folder source files
2019-07-03 19:34:13 -04:00
e4071d7f46
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
84f65fe441
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15157 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-06-08 15:41:04 +00:00
0f3e4182e8
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15109 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-06-06 23:21:39 +00:00
354e20f431
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 20:04:06 +00:00
0916861315
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11777 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-04-11 14:46:49 +00:00
2dbe3f80a2
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10103 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-06-27 20:02:55 +00:00
7f18289ee3
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10010 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-06-04 14:55:56 +00:00
db8eda0253
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9913 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-05-24 18:55:24 +00:00
ef9e700545
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8226 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-06-06 22:47:51 +00:00
c27e7ac989
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8186 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-05-25 14:33:24 +00:00
e0198e0247
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8019 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-04-19 18:51:49 +00:00
fb1c3d6019
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8008 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-04-10 15:02:16 +00:00
07e9b93a99
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7815 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-02-17 15:43:16 +00:00
19e8c92a90
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7003 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2011-09-23 18:06:55 +00:00
fbb475b9cd
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5835 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2011-03-25 21:13:51 +00:00
293b4cfb57
Fix error in HCP lattice basis
...
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2240 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2008-11-14 03:48:36 +00:00
121734559b
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1738 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2008-04-11 20:05:42 +00:00
