200b4f13c7
use dynamic cast instead of c-style cast when casting from base type to derived class
2022-04-10 18:18:06 -04:00
39b316729b
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
58030009da
new math constants: DEG2RAD and RAD2DEG
2022-03-17 19:44:34 -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
b53822da46
provide Command base class in command.h for deriving command styles from
2021-04-13 17:47:00 -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
...
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
729cc81f31
make more use of utils::logmesg()
2020-07-31 22:16:06 -04:00
0ee1393955
fix typo
2020-06-04 22:17:50 -04:00
48b7b7d722
fix up change_box and displace_atoms lost atoms error message
2020-06-04 22:09:40 -04:00
7967cb1133
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
31cbccda85
continue cleaning up include file lists
2019-06-29 09:37:44 -04:00
1fc3b4618c
remove dead code and silence compiler warnings
2018-11-15 16:50:56 -05:00
e4071d7f46
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
59dbb49cf9
remove trailing whitespace
2018-03-16 12:37:27 -04:00
32b967ed9c
add rigid body overlap warnings to change_box and delete_atoms
2017-06-13 16:26:49 -04:00
4c69bbcf5c
apply rigid body check to displace_atoms command
2017-06-10 11:37:54 -04:00
d93938f7e1
displace_atom rotate needs to operate on unwrapped coordinates with image flags set to zero
2017-05-29 16:57:35 -04:00
fa7543b714
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14506 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-01-27 20:33:55 +00:00
09fb68df71
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14440 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-01-14 22:33:46 +00:00
b741a77712
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14243 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-11-07 21:03:31 +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
08157510b7
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14197 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-23 17:00:52 +00:00
7f8f2fd3ed
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12752 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-11-20 18:02:47 +00:00
f14e5cdce6
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12714 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-11-18 00:15:46 +00:00
de0c8d1f14
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11946 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-05-08 14:51:32 +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
a1ef01fc1a
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11243 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-01-14 16:17:20 +00:00
580bffefea
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10273 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-07-22 22:27:57 +00:00
aa33af4032
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10160 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-06-28 19:00:58 +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
61b0e04dfb
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9113 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-11-26 20:47:19 +00:00
66c5617afb
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2012-06-25 22:03:31 +00:00
ef9e700545
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2012-06-06 22:47:51 +00:00
1217612ab6
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2012-02-13 15:33:29 +00:00
19e8c92a90
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2011-09-23 18:06:55 +00:00
d51c47d9ab
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5705 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2011-02-22 22:09:18 +00:00
d5b494397e
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2011-01-14 15:53:06 +00:00
140cdf9485
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2011-01-07 21:42:19 +00:00
01db59bea3
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2011-01-06 23:23:37 +00:00
55e8b2bee6
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2011-01-05 00:29:35 +00:00
d5aa03447b
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2011-01-04 19:12:58 +00:00
e453dab613
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2010-09-14 15:23:12 +00:00
f651d96363
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2245 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2008-11-20 15:39:05 +00:00
17416f49f4
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1388 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2008-01-18 17:18:46 +00:00
