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5f3a7cbc33
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MAINT: Replaced special character with a space.
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2019-01-23 11:29:49 +01:00 |
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0fde0f99bc
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ENH: Support for outputting computes and fixes with arbitrary number of columns.
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2019-01-21 23:04:22 +01:00 |
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b34dac41c2
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port documentation spelling fixes to comments or strings in source code.
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2018-11-19 16:15:24 -05:00 |
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a7a83b118d
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update dependencies for USER-CGSDK package. make script permissions consistent
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2018-05-09 16:13:54 -04:00 |
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e4071d7f46
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replace C-style include files with their C++ equivalents
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2018-04-27 18:00:24 -04:00 |
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4e4fd5f07c
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BUG: Dumping to multiple files failed with an error message complaining about a missing 'append yes' option.
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2018-01-28 14:23:05 +01:00 |
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a111cf640a
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BUG: Proper handling of bigint data. Corrects behavior when compiled with LAMMPS_BIGBIG.
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2017-11-26 22:35:56 +01:00 |
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e755a8339d
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BUG: openfile is called multiple times, second call stopped code with 'at keyword requires use of append yes'
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2017-11-26 22:31:47 +01:00 |
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f7f6a15ac0
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MAINT: Removed superfluous code.
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2017-11-26 22:31:47 +01:00 |
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36b7aa73aa
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MAINT: Use proper data type for bigint when defining NetCDF file.
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2017-11-26 22:31:47 +01:00 |
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02646100e9
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correct handling of "at" keyword for netcdf dumps as suggested by @pastewka in PR #681 review
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2017-10-09 07:49:29 -04:00 |
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e91e505fb3
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remove dependence of dump modify 'at' and 'append'
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2017-10-06 09:44:29 -06:00 |
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dc0e20947e
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MAINT: Return error when 'at' keyword is used without 'append yes'.
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2017-10-06 16:37:52 +02:00 |
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fbe42cda2d
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MAINT: Only set append flag when not in multifile mode.
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2017-10-01 14:31:33 +02:00 |
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56d21bfb05
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MAINT: Removed obsolete prmtop writer.
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2017-10-01 14:22:04 +02:00 |
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100231bba8
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ENH: Enable multi file writes.
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2017-10-01 14:21:09 +02:00 |
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84378f8ae2
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MAINT: Renamed _put_var1_x to _put_var1_bigint
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2017-10-01 14:05:12 +02:00 |
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6e342d2e45
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MAINT: bigint (int64) maps onto either long or long long, depending on platform. Automatically choose the correct one.
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2017-10-01 14:03:52 +02:00 |
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b52efa2850
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add compatibility to NetCDF 4.3.3 as bundled with RHEL 7.x
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2017-08-23 15:28:27 -04:00 |
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ffa906de6f
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add C++ format identifiers to .h files
|
2017-06-20 16:18:34 -04:00 |
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bdf03757e6
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MAINT: Simplified GPL headers.
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2017-06-08 23:20:21 +02:00 |
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bd83c7c7f9
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MAINT: Updated contact data and fixed typos.
|
2017-06-08 23:02:22 +02:00 |
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d51cee1b82
|
MAINT: Turned 'global' options into a 'thermo yes'/'thermo no' option that enables dumping of thermo data to the netcdf file (for parallel NetCDF/MPIIO variant).
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2017-06-08 22:58:27 +02:00 |
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be476c9e1d
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MAINT: Turned 'global' options into a 'thermo yes'/'thermo no' option that enables dumping of thermo data to the netcdf file.
|
2017-06-08 22:43:10 +02:00 |
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36c8b26fef
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BUG: DumpNCMPIIO is now called DumpNetCDFMPIIO
|
2017-06-07 14:01:36 +02:00 |
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99ef36f440
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MAINT: Switched NetCDF from 64BIT_OFFSET to 64BIT_DATA which can handle frames (of unlimited dimension) > 2 GB. This becomes important for system sizes 100 Mio atoms and upwards.
|
2017-06-07 13:52:33 +02:00 |
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addd87c0f7
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new Section package and start doc pages and build scripts
|
2017-05-04 11:22:20 -06:00 |
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