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62b388b48f
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consolidate LAMMPS data type constants and enums and use the same names
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2023-06-10 19:23:11 -04:00 |
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491e152289
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add API to library interface to access last thermo data
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2023-06-07 16:21:01 -04:00 |
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30e6b8b9b6
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make more reliable with explicit loops using exported nfield value
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2023-06-07 15:19:58 -04:00 |
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6360c02daa
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use explicit const references
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2023-06-07 14:04:41 -04:00 |
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b81b1f5ecc
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switch dump yaml/netcdf thermo output to use new caching API. remove old API.
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2023-06-06 22:40:13 -04:00 |
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27da716852
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getting out of the insurance business :-)
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2023-01-23 16:45:41 -05:00 |
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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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27d2fab951
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simplify processing for "*" in filenames for embedding timestep by using utility function
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2022-03-29 06:06:48 -04:00 |
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d539dcd8d4
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repair collateral damage to NETCDF package from Thermo class refactor
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2022-03-19 20:54:50 -04:00 |
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30af0cb325
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define and use LMP_MAX_VAR_DIMS instead of NC_MAX_VAR_DIMS to avoid stack overflows
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2021-12-26 17:15:13 -05:00 |
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3b183bafbb
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cosmetic changes (simplify, use constexpr, remove dead code, join wrapped lines)
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2021-12-23 01:23:13 -05:00 |
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0576d525ad
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simplify and avoid redundant output
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2021-12-21 13:39:00 -05:00 |
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c780768e91
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put contents of netcdf_units into NetCDFUnits namespace
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2021-12-21 13:16:23 -05:00 |
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1c25c96aaa
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netcdf: deduplicate gettings units as strings
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2021-12-17 17:13:29 +01:00 |
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f8ee6dc680
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netcf: define units for all variable where this is possible
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2021-12-17 11:49:25 +01:00 |
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4bf065ed1c
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netcdf: use float values for scale factors instead of double
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2021-12-17 10:55:54 +01:00 |
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d04f428c1a
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netcdf: default to float variable for everything
The standard convention require all values to be stored as
float, users still have the ability to use double with
`dump_modify <id> double yes`
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2021-12-17 10:54:43 +01:00 |
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4f17082d74
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use portable logic operators
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2021-10-07 12:23:17 -04:00 |
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37bfe3d0ce
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integrate platform sub-namespace into source code and documentation
this updates function calls to functions that have been moved from
the utils namepsace or the Info class to platform::
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2021-10-02 16:55:11 -04:00 |
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1ba77e1629
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apply utils::logical() in more places
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2021-09-21 14:15:02 -04:00 |
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76ec9b8616
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port changes from dump netcdf to dump netcdf/mpiio
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2021-07-18 19:04:08 -04:00 |
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878795e64a
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bulk rename of remaining USER- packages
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2021-06-29 20:12:59 -04:00 |
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