a696b26301
Merge branch 'clean-master2' of github.com:julient31/lammps into pppm_spin
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Conflicts:
src/SPIN/pair_spin_exchange.cpp
src/atom.cpp
src/pair.cpp
2019-04-19 15:02:25 -06:00
2fa6e913ef
Merge branch 'master' into gran_mods
2019-03-28 11:46:44 -04:00
3cc740b9d3
handle granular specific pair style flags consistently and make sure they are never accessed uninitialized
2019-03-28 11:46:04 -04:00
2f20581b29
Merge pull request #1374 from akohlmey/collected-small-fixes
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Collected small changes for the next patch release
2019-03-25 13:15:45 -04:00
1e8ccb1774
initialize setflag and cutsq pointers to NULL, so they are not accessed uninitialized by accident
2019-03-22 04:54:06 -04:00
06a57dd659
use ev_unset for all pair styles
2019-03-13 17:49:16 +01:00
eaf2ca9c84
Merge pull request #1272 from lammps/utility-functions
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Add library of utility functions to make LAMMPS code simpler and more consistent.
This is the first part of multiple pull requests that will add some more of these functions and will apply them to more of LAMMPS.
2019-02-13 16:30:46 +01:00
b417cfda9b
removed dead code and reduce compiler warnings about unused parameters
2019-02-03 11:36:41 -05:00
bb36e6e3c8
implement some examples for using the utils::strmatch() function and use it for inexact Force::pair_match()
2019-02-01 12:23:06 +01:00
b34dac41c2
port documentation spelling fixes to comments or strings in source code.
2018-11-19 16:15:24 -05:00
e9bc939098
Fix more unused parameter warnings ( #1076 )
2018-08-23 12:22:44 -06:00
5e287033f7
Commit1 JT 081618
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- converted pppm_spin for long range spin-spin interactions
- modified kspace, pair,and pair_hybrid to add spinflag
2018-08-16 10:13:18 -06:00
1d9ad55796
changes to Errors and Python doc pages
2018-07-25 14:10:00 -06:00
fa5ecf88a5
change error->all to error->warning on pair style restartinfo bug
2018-06-01 16:13:05 -04:00
cf3095e938
document restartinfo bug message, add check to Pair::write_restart as well
2018-05-31 19:02:03 -04:00
5daf1fe0d4
remove deprecated 'register' keyword. closes #922
2018-05-18 17:43:18 -04:00
e4071d7f46
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
5cdc6097f4
abort with an error when a pair style incorrectly advertises a restart ability
2018-03-19 18:25:18 -04:00
27553283c3
fix bug with pair_modify <style> compute not triggering the correct global change
2017-08-11 08:28:37 -04:00
3f297382ac
Revert "do not allow pairwise cutoffs <= 0.0. avoids undefined behavior and division by zero errors"
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This reverts commit a04711b21f
2017-07-14 22:41:59 -04:00
a04711b21f
do not allow pairwise cutoffs <= 0.0. avoids undefined behavior and division by zero errors
2017-07-14 13:49:28 -04:00
e084d4dad6
print warnings in Pair::init() only on MPI rank 0
2017-07-14 13:48:21 -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
683023d820
Adding alloc flag to ev_setup
2017-03-08 12:36:23 -07:00
eaf7ed7707
Print error if pair_write does not get correct number of arguments
2017-03-02 21:25:27 -08:00
782a328080
avoid memory leaks when using kspace solvers for lennard-jones
2016-11-01 14:55:13 -04:00
c46be7db62
changes to imbalance weight factors
2016-10-05 10:33:39 -06:00
3ceaf974f8
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15344 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-07-21 23:18:44 +00:00
85cb6786e0
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15264 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-07-06 14:54:27 +00:00
04e401ae4b
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15080 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-05-31 16:20:32 +00:00
f70a764d5c
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14860 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-04-22 15:55:54 +00:00
13c5549009
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14809 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-04-07 21:12:44 +00:00
70aa37e4c8
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14589 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-02-15 15:26:57 +00:00
753429e654
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14555 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-02-04 21:09:19 +00:00
cf77d882eb
Adding error checks for Kokkos-incompatible features
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14517 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-01-28 23:32:16 +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
3841dd58ca
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13931 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-08-21 22:55:12 +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
6106843d57
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13467 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-05-15 16:51:23 +00:00
25b928b276
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13282 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-03-24 15:34:07 +00:00
c3e7b8587a
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2015-03-18 23:34:41 +00:00
0ed5c699cc
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13058 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-02-04 22:14:27 +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
dc5ad107ad
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12373 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-08-27 17:44:05 +00:00
fe1ade5fad
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12231 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-07-30 14:59:20 +00:00
7b5846a386
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2014-06-14 19:34:09 +00:00
0de9e4252b
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2014-04-04 16:40:17 +00:00
8f9b050dfc
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2014-03-17 22:14:28 +00:00
5bdd5c3c25
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2014-03-12 16:37:16 +00:00
