cc594c0613
include fmt/format.h into pointers.h
2020-09-02 10:52:10 -04:00
e5e2abe446
update include file policy file and policy for pointers.h special case
2020-09-02 10:51:55 -04:00
80519cd109
Merge pull request #2331 from rbberger/zstd_support
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Update COMPRESS package
2020-09-01 15:01:04 -04:00
e7dcb79ac5
Merge pull request #1472 from tomswinburne/master
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Add fix pafi
2020-09-01 14:36:46 -04:00
35cb41147a
update date
2020-09-01 14:16:06 -04:00
60b98f6b91
Require libzstd>=1.4 for Zstd dump styles
2020-09-01 13:52:56 -04:00
45c9478f5a
Merge pull request #2333 from akohlmey/iss1109
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Fix memory leaks and out-of-range memory access in USER-BOCS package
2020-09-01 13:37:56 -04:00
31bd76efa5
Merge remote-tracking branch 'origin/master' into zstd_support
2020-09-01 12:58:41 -04:00
40ea03234f
Update force->inumeric to utils::inumeric
2020-09-01 12:58:27 -04:00
9d3e3526a0
Add false positives and fix spelling in docs
2020-09-01 12:30:35 -04:00
f899a0f484
Reorder init to supress warnings
2020-09-01 12:25:38 -04:00
a2b5c379f2
Update docs for COMPRESS styles
2020-09-01 12:17:08 -04:00
3db1a6d690
Use PkgConfig to find Zstd
2020-09-01 11:14:36 -04:00
ae3a7d8901
minor changes to example
2020-09-01 17:02:24 +02:00
8e0c4d764e
Change include for fmt
2020-09-01 10:58:13 -04:00
75b3bbd657
modernize
2020-09-01 10:09:34 -04:00
95aab99c2a
remove redundant entries
2020-09-01 09:57:44 -04:00
2802db4493
correct application of the BEGIN_CAPTURE macro
2020-09-01 09:41:26 -04:00
3b765956d2
Manually resolve merge conflict
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Merge branch 'iss1109' of https://github.com/eagunn/lammps into iss1109
2020-09-01 06:31:35 -06:00
4f03acc560
Fix merge conflicts caused by code's do-si-do around Axel's additions
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to the utils namespace.
2020-09-01 06:30:12 -06:00
2536f28e1a
Per comments from Axel, continued the evolution of the output messages.
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- Converted Compute message with imputed value to fmt::format style.
- Condensed most error-> output messages to oneliners where fmt::format
is called within the call to the error method. For a couple, the
formatting string/value list were complex enough that I continued using
a temporary string variable to make the code easier to read.
2020-09-01 05:49:29 -06:00
52748f57da
Delete extraneous, unused file/folder that should never have gotten
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into the repo.
2020-09-01 05:49:29 -06:00
9ef725ea52
Move destruction of splines data structure to FixBocs destructor
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from ComputePressure destructor.
2020-09-01 05:49:29 -06:00
e11a3c4799
Remove "test" example files.
2020-09-01 05:49:29 -06:00
4dca927693
Switch dynamically created arrays/matrices to use memory->create and
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->destroy, LAMMPS-standard for dynamic memory management.
2020-09-01 05:49:29 -06:00
fe89edc828
Remove c_str() calls from message strings. Message class now accepts
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actual strings.
2020-09-01 05:49:29 -06:00
0aa66319fe
Change the build_xxx_splines methods to accept a const reference parameter
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to the data vector rather than a vector parameter. Vectors are, as all
types are, passed by value in C++. Using a vector directly as a parameter
causes the data to be copied. Using a reference to the vector neatly
avoids that problem.
Also tucked fmt/format.h into its rightful place in the include list
since Axel says there's no absolute rule about it being an exception.
2020-09-01 05:49:29 -06:00
076c834734
Manually reconciled conflict from:
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Corrected two issues in code identified by valgrind:
1) memory leaks (the subject of the original #1109 ) and
2) an invalid memory access (reading from beyond the end of an array).
Also:
- replaced several dynamically-allocated (calloc and free) local arrays with std::vector.
- reorganized include statements per new conventions, and
- updated messages to use strings and fmt.
Added folders and files used in manual testing and verification to examples folder.
No changes in analysis results are expected or intended. This is pure refactoring except for a bit of error message cleanup.
2020-09-01 05:48:49 -06:00
aa12f4f78a
Per request from Axel, Revert revert one commit too far:
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"Per suggestion from Axel, reformat code to what I believe to be"
This reverts commit b72c1c0eda
2020-09-01 05:10:44 -06:00
fbffcf3321
spelling
2020-09-01 11:34:11 +02:00
c18eccad39
force -> utils::
2020-09-01 11:25:25 +02:00
2f182b4606
force-> -> utils::
2020-09-01 11:24:06 +02:00
c6de769696
Merge branch 'master' of github.com:tomswinburne/lammps
2020-09-01 11:12:29 +02:00
ac080228dc
whitespace style fix
2020-09-01 11:12:05 +02:00
0541996919
Merge branch 'master' into master
2020-09-01 10:59:03 +02:00
d601acd0ca
merge
2020-09-01 10:57:43 +02:00
2eb6a8a8a4
update python interface
2020-09-01 10:55:45 +02:00
db9de111be
updated python interface
2020-09-01 10:54:18 +02:00
fe833e6c87
Add missing #ifdef
2020-08-31 19:49:17 -04:00
0925fc822d
Make Zstd support optional
2020-08-31 18:21:58 -04:00
3865de8705
Add lost line
2020-08-31 16:43:06 -04:00
2effd2f707
Merge remote-tracking branch 'origin/master' into zstd_support
2020-08-31 15:38:56 -04:00
c5a2e50bf5
Add Zstd variants of dump local and xyz
2020-08-31 15:38:20 -04:00
a0f82a4b18
Add compression_level parameter to dump xyz/gz and local/gz
2020-08-31 15:00:57 -04:00
443a817152
Add tests for dump local/gz and xyz/gz
2020-08-31 14:54:10 -04:00
24f5807623
Merge pull request #2319 from akohlmey/move-convenience-functions
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Move some more convenience functions to utils namespace
2020-08-31 14:29:42 -04:00
99b83333c9
Add dump cfg/zstd
2020-08-31 14:20:52 -04:00
a922355e19
Add compression_level parameter to dump cfg/gz
2020-08-31 14:20:36 -04:00
54ed23448b
instantiate bounds() also with long long to make windows happy.
2020-08-31 14:14:51 -04:00
5faca3aef0
Add tests for dump cfg/gz
2020-08-31 13:36:42 -04:00
