c812bf7a91
Update headers in improper_*.rst files
2020-09-02 13:03:03 -04:00
a0c9c213fd
Update headers in dihedral_*.rst files
2020-09-02 12:57:44 -04:00
d01c985feb
Update headers in compute_*.rst files
2020-09-02 12:56:24 -04:00
f4d2523ce0
Update headers in bond_*.rst files
2020-09-02 12:55:18 -04:00
4e27c47f96
Undo lost headers
2020-09-02 12:54:08 -04:00
88e09fe648
Update headers in angle_*.rst files
2020-09-02 12:43:48 -04:00
286d3866e3
Add style index check in check-styles.py
2020-09-02 12:42:18 -04:00
549bdd080c
Add kspace_style to fixup_headers.py
2020-09-02 12:37:48 -04:00
84e922eff6
Add other styles to fixup_header.py
2020-09-02 11:55:53 -04:00
0c88074525
Apply header fix to all remaining fix styles docs
2020-09-02 11:05:33 -04:00
98808fb5ff
Skip doc files that don't have common file structure
2020-09-02 11:04:08 -04:00
8d1a117b75
Apply header fix to all remaining pair styles docs
2020-09-02 10:59:01 -04:00
09bc686f71
Avoid extra newline
2020-09-02 10:55:04 -04:00
e479033109
Avoid breaking already fixed headers
2020-09-02 10:51:47 -04:00
3c60a9e08e
Update fix_nh.rst
2020-09-02 10:31:21 -04:00
49a6bf5e30
Update pair_class2.rst
2020-09-02 10:30:31 -04:00
3a22f26e87
Update pair_cs.rst
2020-09-02 10:29:46 -04:00
4d6be195ec
Add utility to fixup doc headers
2020-09-02 10:29:29 -04:00
e5f1f58aab
Update pair_born.rst
2020-09-02 10:26:37 -04:00
a6a49d80b2
Update pair_sdk.rst
2020-09-02 10:19:20 -04:00
7ae98ffae1
Update fix_rigid.rst
2020-09-02 09:50:16 -04:00
dce7a39021
Update pair_buck.rst
2020-09-02 09:47:32 -04:00
77f803b366
Update pair_charmm.rst
2020-09-02 09:14:20 -04:00
a9cf25db4c
Update pair_eam.rst
2020-09-02 09:13:59 -04:00
7e733913d7
Update pair_fep_soft.rst
2020-09-02 09:03:00 -04:00
45100528ad
Update pair_coul.rst
2020-09-02 08:54:53 -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
