e4dbfee498
replace fmt::print() with utils::print()
2025-01-23 00:11:31 -05:00
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
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
6c32058728
adapt all users of FixStore to use FixStoreGlobal or FixStorePeratom
2022-08-04 11:33:14 -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
39b316729b
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
c7a9a3e2f6
simplify and replace use of XXXINT_FORMAT macros
2022-03-30 16:13:38 -04:00
f392b089a4
modernize
2021-10-16 21:40:17 -04:00
8b36061db4
replace MPI_Wtime() with platform::walltime()
2021-10-05 22:53:39 -04:00
42625a82d1
simplify more code for creating fix instances using the improved APIs
2021-08-07 10:09:06 -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
c91563b797
avoid uninitialized data issues detected by valgrind
2021-05-10 03:37:20 -04:00
d1941392d3
disable clang-format for all existing .cpp files (for now)
2021-05-05 23:53:38 -04:00
b53822da46
provide Command base class in command.h for deriving command styles from
2021-04-13 17:47:00 -04:00
dfb18caf5a
simplify using utils::strdup(), update order of include files
2021-03-27 16:25:55 -04:00
231b40995f
work around dump output issues with TAD
2020-12-14 17:49:12 -05:00
adf74b3a22
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
0f6a34775c
Merge branch 'master' into symbolic-atom-constants
2020-09-15 17:44:31 -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
9d0c3bc665
replace some numeric constants in Atom and AtomVec classes with enumerators
2020-09-11 19:07:55 -04:00
88ddfa4eb0
more IWYU cleanup in packages
2020-09-03 05:20:02 -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
6ace98b64e
simplifications in REPLICA
2020-06-29 12:35:20 -04:00
02e6ce32ea
Add Kokkos version of minimize
2019-08-28 09:41:15 -06:00
13d4fbdcfb
clean up includes in QEQ, REPLICA, and RIGID packages
2019-07-07 16:27:59 -04:00
416911aa7e
more rearranging of include file order to put implementation headers first
2019-07-03 21:57:39 -04:00
9c27548a5c
more replacing of sprintf() with snprintf()
2018-09-06 10:45:48 -04:00
e4071d7f46
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
cf3887c5e0
default arguments on polymorph/pure methods can lead to unexpected overloading in derived classes
...
argument for Integrate::setup() made explicit
2018-02-22 07:53:58 -05:00
53e4ee4f2d
need to re-init timers after initial setup
2017-09-25 23:20:42 -04:00
6897cc803f
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15671 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-09-28 22:29:06 +00:00
f511c177c6
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15670 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-09-28 14:37:45 +00:00
4e199dd5bd
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14424 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-01-12 00:12:15 +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
9a878cdd67
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14128 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-21 18:29:37 +00:00
ce59e32d1c
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13937 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-08-28 20:00:56 +00:00
53d8975ee4
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12829 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-12-13 00:42:42 +00:00
21ac09ad9c
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12715 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-11-18 00:17:02 +00:00
4833f14be8
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11565 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-02-14 16:31:23 +00:00
dcf9c93db0
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11397 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-01-30 20:10:14 +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
b49a5519f2
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10285 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-07-23 15:10:07 +00:00
b0007d45b7
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10199 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-06-29 21:27:42 +00:00
f5cd343be8
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9755 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-04-06 23:09:20 +00:00
afac9a0f14
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9754 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-04-06 23:08:09 +00:00
