6c6258371b
add init_flags() and is_initialized() methods
2023-07-20 20:31:16 -04:00
b4118c51cc
merged in current master
2022-11-04 08:22:18 -06:00
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
22a9bfebe5
reimplement utils::gridid_parse() function and update related code
2022-08-17 13:18:12 -04:00
58800b5191
enable relancing to work with distributed grids
2022-08-11 13:28:50 -06:00
d819c890b6
dump grid and compute property/grid
2022-07-21 15:08:44 -06:00
5c81ba81d7
initial version of dump grid
2022-07-19 11:03:44 -06:00
78c10bac4a
clang-format update
2022-04-23 13:08:11 -04:00
115962db88
Merge branch 'develop' into remove-error-docs-in-header
2022-04-23 12:46:54 -04:00
79a7d2abf6
remove error docs from header files
2022-04-22 23:31:15 -04:00
8e9cc0eb51
Merge branch 'develop' into compute_temp_profile_dof
2022-04-22 22:16:42 -04:00
f7514ce358
make friends for access to instance_me member
2022-03-02 19:06:08 -05:00
b8d4030983
Update more core class destructors
2022-01-19 13:27:08 -05:00
09c19a936b
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
7fcd449864
apply clang-format to all headers with some exceptions
2021-05-14 19:16:07 -04:00
df7fe4431f
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
ab07427339
Corrected default extra_dof
2021-03-17 09:52:05 +10:00
48f15e485d
put consistent definition of INVOKED_* constants as enumerator into compute.h
2021-01-31 20:13:47 -05:00
6274234376
have a single union ubuf definition in lmptype.h and remove others
2020-06-11 18:37:31 -04:00
c505058c5c
Add flag for Kokkos computes
2020-02-24 15:43:29 -07:00
0067a5b0fe
add support for pressatomflag=2 to compute.h and vflag=8 to integrate.cpp and min.cpp to indicate centroid atomic stress computation
2019-10-04 17:34:15 +09:00
84e156d380
first batch of changes suggested by using include-what-you-use tool
2019-06-27 09:14:36 -04:00
2aef3a0e96
new dump_modify refresh and compute displace/atom refresh commands for incremental dump files
2018-03-27 14:37:04 -06:00
d3c90f3c14
Merge pull request #510 from akohlmey/collected-small-changes
...
Collected small changes
2017-06-15 11:12:14 -06:00
b01143102d
refactoring of USER-TALLY computes to handle sparse and hybrid systems
...
with sparse and hybrid systems, Pair::ev_tally() may not be called on
every processor and thus the computes in USER-TALLY may hang during
reverse communication because of the error->all() call after checking
whether callback from Pair::ev_tally() has been called at least once.
To address this cleanly, a second callback function needs to be added,
which is run during Pair::ev_setup() and will now handle all memory
re-allocation and clearing of accumulators, just like it is done for
regular tallied data.
2017-06-12 22:12:12 -04:00
31a734b03d
sbmask function should be flagged as const indicating no side effects
2017-06-07 17:10:33 -04:00
d2810f9f83
port thread-safe temperature biasing from LAMMPS-ICMS
2017-05-16 18:15:13 -04:00
c46be7db62
changes to imbalance weight factors
2016-10-05 10:33:39 -06:00
a2782baa64
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15324 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-07-15 22:47:23 +00:00
eec4d961c0
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15291 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-07-12 22:59:27 +00:00
50ac419d3f
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15159 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-06-08 23:15:55 +00:00
546186739c
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14064 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-09-24 20:34:59 +00:00
c85a42ab6d
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13905 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-08-19 15:11:20 +00:00
d497d65930
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13353 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-04-01 14:41:30 +00:00
269bff4b14
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13344 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-03-31 18:47:58 +00:00
bd37304ade
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13332 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-03-30 23:17:06 +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
4c2103f695
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13253 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-03-18 21:54:52 +00:00
8f818715f4
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13098 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-02-13 16:53:48 +00:00
56539fc69f
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13092 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-02-12 00:10:23 +00:00
e57c7828a9
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13075 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-02-06 20:39:07 +00:00
e1cd500a21
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13008 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-01-30 18:51:56 +00:00
86daf16069
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12996 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-01-28 15:55:56 +00:00
e72afc5488
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12955 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-01-19 23:38:26 +00:00
b7ece0fb51
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12693 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-11-17 18:11:29 +00:00
7518fae9bc
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-10-21 17:09:24 +00:00
f50d366df7
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12255 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-08-06 16:16:32 +00:00
d3d9748dee
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12023 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-05-23 18:37:20 +00:00
53db68362e
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11935 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-05-07 14:30:27 +00:00
