b936673935
consolidate calls to utils::errorurl() with corresponding error class calls.
2025-03-19 02:23:10 -04:00
508eeddf87
Merge branch 'develop' into add-error-explanations
2025-03-12 11:39:13 -04:00
0e07eab97f
add some calls to utils::errorurl(22)
2025-02-18 00:05:12 -05:00
7f82dcd835
improve and modernize error messages
2025-02-14 15:23:16 -05:00
19d64fd0f9
Fix massive performance regression on GPUs with Kokkos version of fix npt
2025-01-22 14:22:09 -07:00
d13096e08b
improve error message
2023-05-02 12:08:55 -04:00
c5e4f7c5fd
modernize
2023-05-02 11:49:55 -04:00
27da716852
getting out of the insurance business :-)
2023-01-23 16:45:41 -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
67f6adebb7
whitespace fixup with dynamic casts
2022-09-10 13:26:38 -04:00
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
6d070c7043
more use of modernized APIs
2022-03-16 15:24:42 -04:00
94f83c172a
simplify and modernize code a little
2021-09-15 23:15:14 -04:00
3caa066c28
simplify/optimize code
2021-09-15 16:23:07 -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
59c0325f08
simplify by using utils::strdup()
2021-03-18 20:22:08 -04:00
d169f6c169
USER-BOCS and other compute pressures
2021-01-21 17:27:45 -07:00
182eb35f1a
changes to fixes that use THERMO_ENERGY
2021-01-21 11:32:11 -07:00
adf74b3a22
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
2ffa50f2f8
fix memory leak
2020-09-25 18:13:52 -04:00
429cc0cacf
add missing updates for symbolic constants in Atom class
2020-09-16 23:19:10 -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
45f80f4f06
more include file updates found by iwyu
2020-09-02 22:52:22 -04:00
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
edf64ed16c
Merge pull request #1511 from jdevemy/master
...
Add keyword hybrid/pair for compute_pressure
2019-07-29 22:15:20 -04:00
06dcc9e283
Merge branch 'master' into improve-include-consistency
...
# Conflicts:
# src/USER-MESO/atom_vec_tdpd.cpp
2019-07-09 14:50:00 -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
9984cbc99a
Recheck existence of pair style in init
2019-07-02 16:13:20 +02:00
0761c4dbb9
Name change hybridpair->pair/hybrid
2019-07-02 10:47:36 +02:00
968335d4fd
Remove useless things
2019-07-02 10:34:10 +02:00
7547e1dae6
make certain that the vector storage and the size_vector variable are consistent in computes
2019-07-01 17:25:02 -04:00
378474c4e6
more include file cleanup suggested by IWYU
2019-06-28 02:07:18 -04:00
6a6d08e18e
Better compute_pressure hybrid and doc
2019-06-25 12:01:29 +02:00
7fab12c36f
Add keyword hybridpair for compute_pressure only on a certain pair of a hybrid pair
2019-06-14 16:53:26 +02:00
e4071d7f46
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
ee862d8bf5
replace leading tabs
2018-03-16 12:34:33 -04:00
66130f5557
whether virial contributions from fixes are included depend on thermo_virial, not virial_flag.
2017-09-17 20:50:22 -04:00
2993aec312
sync with Git
...
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15519 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-08-29 22:52:03 +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
8d99bf4779
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13447 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-04-30 14:31:11 +00:00
84a5ec39ec
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13278 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-03-23 23:30:50 +00:00
d54bd651a3
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11646 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-03-19 19:00:18 +00:00
92d0ee3c32
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11515 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-02-10 20:44:43 +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
7a22c79244
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7782 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-02-14 20:14:03 +00:00
4f48544d41
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7379 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2011-12-16 21:15:49 +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
