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
7e2fef096f
use accessor function to get and process list of fixes
2022-03-16 14:18:09 -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
aa157e53c3
make consistent with the rest of LAMMPS
2021-05-07 19:10:36 -04:00
d1941392d3
disable clang-format for all existing .cpp files (for now)
2021-05-05 23:53:38 -04:00
917cd1b924
silence more compiler warnings
2021-04-23 16:57:39 -04:00
12f49c4c89
avoid overflow when computing memory address offsets on 64-bit machines
2021-02-05 19:42:07 -05:00
e2e6639013
add typecast to avoid (unlikely but possible) integer overflows.
...
this will silence a lot of static code analysis warnings
2021-02-02 17:27:04 -05:00
adf74b3a22
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
cebf6d33ba
Merge pull request #2358 from eagunn/iss2345
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Replace instances of NULL with nullptr
2020-09-15 17:41:24 -04:00
0183e999c9
consistently return "memory_usage" as double.
2020-09-15 01:59:58 -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
485a169ef2
move merge sort to utils namespace
2020-09-06 17:38:53 -04:00
f88f4cd60e
more include file updates
2020-09-02 21:44:04 -04:00
11a3fd6ce4
Merge pull request #1556 from lammps/bug-maxexchange
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more robust version of atom exchange size
2019-07-30 17:09:18 -04:00
89af88bd10
more changes to robustify comm buf_send length
2019-07-10 08:41:27 -06:00
256531a29a
put implementation header first for all remaining main folder source files
2019-07-03 19:34:13 -04:00
96744c4933
more include file cleanup
2019-06-30 15:53:17 -04:00
8c03f51020
fix 32-bit/64-bit overflow issue in expression
2019-04-04 09:01:39 -04:00
fff28a8666
remove trailing whitespace
2019-03-26 11:17:21 -04:00
bbe6c9bb63
added diagnostic info for memory and balance info
2019-03-26 11:01:38 -04:00
fc002e30d3
added rendezvous via all2all
2019-03-26 11:01:38 -04:00
9912c44413
rendevous comm option for special bonds and fix rigid/small
2019-03-26 11:01:33 -04:00
71e1867dd2
move enum{LAYOUT_UNIFORM,LAYOUT_NONUNIFORM,LAYOUT_TILED}; to Comm class
2018-05-10 00:50:20 -04:00
e4071d7f46
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
d2610d9e7c
minor changes to NEB doc pages and examples
2017-06-20 08:19:23 -06:00
c1b0b1b3f9
restore old qsort() based code and add preprocessor directives to switch
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-DLMP_USE_LIBC_QSORT will use qsort() from libc to sort (requires static/global variables).
-DLMP_USE_MERGE_SORT will use a plain merge sort. slightly slower for expensive comparisons.
-DLMP_USE_HYBRID_SORT will use hybrid merge sort. faster than merge sort (no static/global variables)
2017-06-16 18:17:48 -04:00
1f17e8ebbb
remove need for static class member variables in Dump and Irregular
...
The dump and irregular classes were using qsort() from the C-library
for sorting lists through custom comparison functions, which required
access to additional data, which was passed via static class variables,
i.e. globals. This collides with having multiple LAMMPS instances in
the same address space.
the calls to qsort() are replaced with a custom merge sort, which passes
a void pointer to the comparison functions, which can contain any kind
of desired information, e.g. a class handle or a list
2017-06-14 23:10:53 -04:00
7fb741d53d
Revert "In irregular.cpp use simpler and slightly faster MPI_Reduce_scatter_block()"
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This reverts commit 8e75616c14
2017-03-17 11:35:59 -04:00
8e75616c14
In irregular.cpp use simpler and slightly faster MPI_Reduce_scatter_block()
2017-03-17 03:02:42 -04:00
411c069ba6
BUGFIX: Prevent possible deadlock in Irregular::create_atom and create_data
2017-03-17 03:02:19 -04:00
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
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
4455b66003
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12207 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-07-28 19:58:51 +00:00
fd1b9f2c5c
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11968 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-05-09 17:31:23 +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
3e9c22df24
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11699 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-04-04 16:32:26 +00:00
e9d4b7a10d
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11689 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-04-03 14:57:27 +00:00
5e1d34a23d
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11617 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-03-10 15:56:49 +00:00
79a7e57328
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8369 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-06-21 16:57:03 +00:00
63f63e4567
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8368 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-06-21 16:56:29 +00:00
31bc11ee34
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8365 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-06-21 16:27:12 +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
d892afbf67
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7734 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-02-09 16:56:02 +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
8ff0659bae
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5947 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2011-04-15 22:25:19 +00:00
