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e9d22ec7f9
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Clarify error message
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2024-04-30 09:19:03 +02:00 |
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f1c2a22e2d
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more tweaks
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2024-04-08 16:25:17 -06:00 |
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01d412bdbf
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Merge branch 'develop' into general-triclinic
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2024-03-08 21:32:01 -05:00 |
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dd4cd240df
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Moving temp/heat keywords out of dump to compute prop/atom
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2024-02-23 14:31:40 -07:00 |
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7905e5d146
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Merge branch 'develop' into general-triclinic
# Conflicts:
# src/atom.cpp
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2024-01-29 21:05:21 -05:00 |
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12422ff510
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replace defines with static constexpr declarations
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2024-01-21 15:53:35 -05:00 |
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a473d6f347
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refactor dump code to no longer need access to internal Modify class data
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2024-01-21 14:42:57 -05:00 |
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45372937db
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loads of whitespace fixes
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2023-12-01 14:52:47 -05:00 |
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dfafdff209
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finalized dump command support for general triclinic
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2023-11-20 12:06:58 -07:00 |
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201f8cda9a
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more updates
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2023-10-12 06:49:59 -06:00 |
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30f7328841
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more dump custom fields rotated
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2023-09-14 16:00:25 -06:00 |
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1ab26e083a
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more general tri support in dump atom and dump custom
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2023-09-06 10:11:04 -06:00 |
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1ed8dd6906
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add general triclinic options to dump custom
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2023-09-04 15:26:55 -06:00 |
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2da908190b
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make error messages consistent and improve their grammar
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2023-07-21 11:24:57 -04:00 |
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0b57ea246c
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update dump styles to use Compute::is_initialized()
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2023-07-20 21:48:51 -04:00 |
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268faf935b
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avoid overeager flagging of errors for arguments to derived classes
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2023-07-03 10:32:24 -04:00 |
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a38e0fb47b
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restore clang-format comments
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2023-06-23 08:22:31 -04:00 |
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fcc3c99e2b
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avoid segfaults if a dump is created and followed by run pre no
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2023-06-20 13:31:16 -04:00 |
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a20ed8e5e4
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improve error messages for dump style custom
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2023-06-16 12:13:22 -04:00 |
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49ac79fcdd
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change error checks for computes that are not current
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2023-05-08 08:55:40 -06:00 |
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b41d826e0a
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Merge branch 'develop' into gran-temp
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2023-03-16 17:44:36 -04:00 |
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17f39d9d2c
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rename fix STORE/PERATOM to STORE/ATOM
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2023-03-13 22:33:47 -04:00 |
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3815c0ef76
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modify fix STORE/PERATOM and callers to allow ghost comm
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2023-03-13 17:00:54 -06:00 |
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f175a15627
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Merge branch 'develop' into gran-temp
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2023-01-10 09:58:50 -07:00 |
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3e053adfbe
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Print warning about unsorted custom dumps without atom IDs. Explain in manual.
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2023-01-05 22:44:32 -05:00 |
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b4118c51cc
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merged in current master
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2022-11-04 08:22:18 -06:00 |
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f671cd7765
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Merge branch 'develop' into gran-temp
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2022-11-01 14:10:28 -06:00 |
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f66179f336
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Removing old contact files, fixing capitalization in dump_custom.cpp
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2022-10-28 16:38:32 -06:00 |
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2132b1d904
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update developer reference text
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2022-10-24 11:08:26 -04:00 |
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cccf3f6f78
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change email for contacting LAMMPS developers, add to homepage checker
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2022-10-20 20:36:03 -04:00 |
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cca7a53132
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Patching heat implementation and adding example
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2022-09-25 14:53:53 -06:00 |
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e2df4ed2a7
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Merge branch 'develop' into distributed-grids
# Conflicts:
# doc/src/Developer_utils.rst
# doc/src/dump.rst
# doc/src/fix_ave_chunk.rst
# src/utils.h
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2022-09-12 18:31:29 -04:00 |
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7bba3c516f
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avoid excess string copy in auto loops
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2022-09-01 16:02:32 -04:00 |
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ccf6c2d55a
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Merge remote-tracking branch 'github/develop' into distributed-grids
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2022-08-18 15:18:27 -04:00 |
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da3e723351
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Merge branch 'develop' into distributed-grids
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2022-08-18 15:10:44 -04:00 |
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301d379db8
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Merge branch 'develop' into refactor-find-xxx
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2022-08-16 18:05:33 -04:00 |
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0cac041ad4
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avoid segfault when using a custom format with too many format specifiers
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2022-08-16 18:03:07 -04:00 |
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3292ee8299
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Fixed the last change to modify_params function
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2022-08-14 10:21:49 +08:00 |
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58800b5191
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enable relancing to work with distributed grids
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2022-08-11 13:28:50 -06:00 |
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6c32058728
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adapt all users of FixStore to use FixStoreGlobal or FixStorePeratom
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2022-08-04 11:33:14 -04:00 |
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1faa7397d3
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Fixing complier issues, adding dump options, initail conduction
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2022-06-18 10:11:57 -06:00 |
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69d9c5187e
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refactor group access, enable and apply clang-format
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2022-04-15 15:29:43 -04:00 |
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74f2b67b1a
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no if statement required before delete[]
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2022-04-10 19:55:24 -04:00 |
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200b4f13c7
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use dynamic cast instead of c-style cast when casting from base type to derived class
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2022-04-10 18:18:06 -04:00 |
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dff3bc5656
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Merge branch 'develop' into avoid-bigint-format-scanf
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2022-04-08 17:39:25 -04:00 |
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fb9316701b
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port colname changes to MPIIO package
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2022-04-01 14:57:41 -04:00 |
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ce67cb0ca1
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first stab at implementing dump_modify colname
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2022-04-01 07:41:13 -04:00 |
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c4729b39b4
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replace more uses of XXXINT_FORMAT with fmtlib
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2022-03-30 13:53:25 -04:00 |
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8fe7b928a7
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use newer APIs to get access to fixes and computes
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2022-03-18 13:16:18 -04:00 |
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6145ef9cd2
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fix bugs related to custom per-atom properties in dump style custom
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2021-10-17 10:57:16 -04:00 |
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