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
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
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2016-07-15 22:47:23 +00:00
eec4d961c0
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2016-07-12 22:59:27 +00:00
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2016-06-08 23:15:55 +00:00
546186739c
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2015-09-24 20:34:59 +00:00
c85a42ab6d
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2015-08-19 15:11:20 +00:00
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2015-04-01 14:41:30 +00:00
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2015-03-31 18:47:58 +00:00
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2015-03-30 23:17:06 +00:00
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2015-03-23 23:30:50 +00:00
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2015-03-18 21:54:52 +00:00
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2015-02-13 16:53:48 +00:00
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2015-02-12 00:10:23 +00:00
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2015-02-06 20:39:07 +00:00
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2015-01-30 18:51:56 +00:00
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2015-01-28 15:55:56 +00:00
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2015-01-19 23:38:26 +00:00
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2014-11-17 18:11:29 +00:00
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2014-10-21 17:09:24 +00:00
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2014-08-06 16:16:32 +00:00
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2014-05-02 15:49:01 +00:00
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2014-05-02 15:03:34 +00:00
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2014-01-29 22:22:56 +00:00
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2014-01-29 01:37:09 +00:00
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2013-02-12 23:09:54 +00:00
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2012-08-28 14:21:55 +00:00
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