c2dc624ec9
update packages USER-SPH, USER-SMTBQ, USER-SDPD, USER-TALLY, USER-UEF, USER-YAFF
2019-07-09 16:11:25 -04:00
e754fb80a4
Merge pull request #1518 from akohlmey/collected-small-changes
...
Collected small changes and fixes for the next patch release
2019-06-18 16:21:41 -04:00
81cdce9b04
flag and document that USER-TALLY computes are not compatible with dynamic groups
2019-06-18 00:14:48 -04:00
e73b34a5b1
do not run tally callback setup multiple times per time step
2019-06-14 15:46:28 -04:00
e4071d7f46
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
80dffb27e2
Add missing header files
2017-12-01 11:33:42 -07:00
2c6e177d5c
avoid reporting negative memory allocation when memory_usage() is called before initialized
2017-07-22 23:14:17 -04:00
11751521e7
remove dead code
2017-06-12 22:49:31 -04:00
b01143102d
refactoring of USER-TALLY computes to handle sparse and hybrid systems
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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
420db44596
print incompatible pair style warnings in USER-TALLY only on MPI rank 0
2017-06-12 20:05:15 -04:00
0ac22e034c
turn errors from manybody potentials for */tally computes into warnings
2017-04-22 21:50:27 -04:00
0f3e4182e8
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15109 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-06-06 23:21:39 +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
546ccbe611
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13957 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-08-28 23:51:23 +00:00
