bd6dd658d6
Updating to master, misc style changes
2021-04-07 17:21:16 -06:00
d54384dd91
Merge branch 'master' into multi_epcc
2021-04-07 16:34:01 -06:00
0bde6c82a3
remove newton bond off check again
2021-03-31 14:40:54 -04:00
183b30abd7
use strmatch() consistently to detect respa and verlet runstyles with optional suffix
2021-03-30 18:30:22 -04:00
e22f9c4768
newton bond off does not work with atom style template currently
2021-03-30 16:48:51 -04:00
d9d5d3a36a
Correcting skin distance calculation for collection/interval
2021-03-19 09:29:47 -06:00
b9bc226e39
save style names alongside the classes when using read_data nocoeff
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this fixes #2673
2021-03-19 10:06:02 -04:00
58e4938b0f
Updating examples, updating multi in info, fixing memory issues in comm/neighbor
2021-02-08 10:50:57 -07:00
de1205c5a9
Fixing misc valgrind issues, particularly with resizing ncollections
2021-02-07 20:38:24 -07:00
56841ba912
Fixing typo in pair gran, fixing bugs in communication and neighbor
2021-02-02 18:05:19 -07:00
d79a2c3a02
Adding collection array, new user arguments, and multi communication
2021-02-02 09:39:13 -07:00
2c92737cd5
Resolve merge conflicts
2021-01-13 09:42:57 -07:00
a25c77e512
Misc comments, typos, and cleanups
2021-01-12 23:04:14 -07:00
382ade15fe
more consistent formatting of for/while loops and if statements
2020-12-30 09:09:08 -05:00
2458eaf4f9
Adding custom grouping option
2020-12-26 11:03:29 -07:00
b421c3d676
Adding arguments, initialization, and communication for custom groupings
2020-12-22 10:20:06 -07:00
5ae32146eb
Adding full neighbor list check for new reduced comm
2020-12-20 17:18:32 -07:00
0a36baf86d
Updating naming in other classes
2020-12-19 17:51:09 -07:00
0549da668d
Renaming multi->multi/old, updating lmpcite
2020-12-19 16:06:47 -07:00
c1e3bc5794
Updating to master
2020-12-19 15:28:02 -07:00
f614aa401e
build_one() update parent skiplist
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if an occasional skip list has an occasional parent list, the parent list must be built when the skip list is built. This patch ensures that behavior. (Otherwise, build_one(foo) returns an empty skip list with no warnings or errors.)
2020-12-16 15:42:10 +10:00
af57879416
Labelling stencils half/full, removing unnecessary newton on/off designation
2020-11-10 17:15:28 -07:00
943a187be7
Renamed to multi2, initial stencil edits
2020-11-10 16:39:56 -07:00
12288630f5
Fixing comm and renaming bytype
2020-11-09 16:32:11 -07:00
adf74b3a22
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
b1b014aed3
Fixing merge conflicts
2020-10-02 15:09:47 -06:00
429cc0cacf
add missing updates for symbolic constants in Atom class
2020-09-16 23:19:10 -04:00
0f6a34775c
Merge branch 'master' into symbolic-atom-constants
2020-09-15 17:44:31 -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
618b08dcfc
Merge branch 'master' into symbolic-atom-constants
2020-09-15 14:58:13 -04:00
0183e999c9
consistently return "memory_usage" as double.
2020-09-15 01:59:58 -04:00
93a0d4c096
fix up some comments
2020-09-12 14:26:34 -04:00
f1ef7d85a8
T2345: Replace instances of NULL with nullptr
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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
9d0c3bc665
replace some numeric constants in Atom and AtomVec classes with enumerators
2020-09-11 19:07:55 -04:00
c7c4297cfc
update include handling for commands
2020-09-03 00:51:58 -04:00
96d8d12a88
replace calls to force->*numeric() with the corresponding utils::*numeric()
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this also removes the now obsolete functions from Force
2020-08-29 20:31:02 -04:00
0008c0eca3
need to setup bins again if binning style has be reset
2020-07-19 12:12:20 -04:00
da66516dec
use references when creating styles
2020-07-13 09:40:58 -04:00
edfb4076ff
remove dead code and unused variables
2020-06-30 16:32:30 -04:00
d4c7455197
reduce output precision
2020-06-30 13:49:50 -04:00
05f310ef35
move misplaced neighbor list print log out output call
2020-06-26 14:04:32 -04:00
f2a4d12f7e
more output simplification with fmtlib, std::string, and utils::logmesg()
2020-06-25 23:48:17 -04:00
eb80fd3031
Add method to copy Kokkos neighbor list to CPU list
2020-02-26 14:26:46 -07:00
ccd395fdd8
remove dead code
2020-01-29 14:34:03 -05:00
78d5bc3d12
Merge branch 'master' into library_interface_update
2019-11-12 15:17:32 -05:00
2bbf52073f
Merge pull request #1759 from akohlmey/hybrid-exclusion-bugfix
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Consistent exclusion settings with multiple kspace-like sub-styles in pair hybrid
2019-11-06 06:24:35 -05:00
ae4764e614
address pair match issue with multiple hybrid substyles in exclusion settings
2019-11-05 11:03:25 -05:00
b6b022b610
whitespace cleanup: remove trailing blanks
2019-11-03 11:03:39 -05:00
26427cc4cb
Fixed error in neighbor distance check for box dimensions
2019-10-01 11:40:21 -06:00
69854eab42
Expose Neighbor lists via library interface
2019-09-12 13:46:05 -04:00
