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dca156eacc
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Edits to devleoper doc files 2
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2024-08-15 17:12:39 -06:00 |
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17ea8d6381
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update comment
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2024-08-12 23:52:41 -04:00 |
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bd0574c11d
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Merge remote-tracking branch 'github/develop' into collected-small-fixes
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2024-08-08 13:43:25 -04:00 |
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cdab8d09ad
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need to update LAMMPS help message, too
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2024-08-07 12:12:45 -04:00 |
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b7bb8083ed
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implement -restart2info command line flag and document it
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2024-08-06 17:14:46 -04:00 |
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89debb2141
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add a hidden "noinit" flag to write_dump that works the same as for write_data
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2024-08-05 19:31:21 -04:00 |
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620af2599b
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use std::stoX() functions
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2024-07-30 03:57:23 -04:00 |
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1359c52f30
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include-what-you-use updates
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2024-02-27 23:42:24 -05:00 |
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f8885cb266
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implement clang-tidy fixes
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2024-02-09 06:22:10 -05:00 |
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77ec384620
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include kk suffix
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2024-02-07 19:58:05 -05:00 |
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11b2538cdb
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print fft info also with -help flag, using single function to create string
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2024-02-05 17:32:45 -05:00 |
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aedc061c45
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change skip inflag check logic to avoid error opening non-existant file
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2024-01-21 09:42:24 -05:00 |
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2760452c68
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suppress warnings about reading from stdin for flags that do not process an input
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2024-01-21 09:26:42 -05:00 |
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beea2a6ee1
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Merge branch 'develop' into collected-small-fixes
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2023-11-10 10:57:08 -05:00 |
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053a904d08
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bugfix: make copy of exename
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2023-11-08 09:18:58 -07:00 |
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46768d0ff3
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Correctly build argv with nullptr at the end
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2023-11-08 09:18:58 -07:00 |
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d79aca6015
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fix bug in not listing all not compiled-in styles
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2023-10-27 11:08:02 -04:00 |
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5a455c5e3a
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remove redundant calls to fmt::format() from calls to error->one/all() and utils::logmesg()
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2023-09-26 23:56:51 -04:00 |
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079d6c2341
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LAMMPS class destructor may throw execption via utils::logmesg()
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2023-08-25 11:55:58 -04:00 |
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4ed98083e0
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Merge branch 'develop' into always-exceptions
# Conflicts:
# src/library.cpp
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2023-08-03 16:50:50 -04:00 |
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b0b26d9d3a
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silence compiler warning
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2023-06-29 07:32:52 -04:00 |
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fc365d3d5f
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Merge branch 'develop' into always-exceptions
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2023-06-22 10:53:36 -04:00 |
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a3de790a0d
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include git descriptor info when compiling develop or maintenance version
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2023-06-17 15:01:17 -04:00 |
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0cd5ae5f2e
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remove -DLAMMPS_EXCEPTIONS and always enable the corresponding code paths
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2023-04-15 17:49:08 -04:00 |
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10b20ec647
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more examples in QUANTUM/LATTE
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2023-02-08 12:48:50 -07:00 |
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12b930b0a6
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updated string
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2023-01-05 17:13:21 +01:00 |
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cd9e56469f
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updated output format
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2023-01-04 12:00:08 +01:00 |
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d47acfc0c4
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Have PyTorch interface for MLIAP working in Kokkos. This uses cuPy and a simple example is provided
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2022-12-28 07:01:47 +01:00 |
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f0244255ff
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improve warning message
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2022-12-08 13:35:41 -05:00 |
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4392b9c8cb
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store LAMMPS version of restart, if initialized from restart file
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2022-11-10 02:24:50 -05:00 |
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ccea984c4c
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expand pair_only_flag processing to also apply to other suffix handlers
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2022-10-31 21:47:40 -04:00 |
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e0181e8c46
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refactor handling of pair/only flag for GPU and KOKKOS
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2022-10-28 16:38:11 -04:00 |
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248b7383c7
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Merge remote-tracking branch 'github/develop' into collected-small-changes
# Conflicts:
# src/DIPOLE/pair_lj_cut_dipole_long.h
# src/OPENMP/fix_nvt_sllod_omp.h
# src/PHONON/fix_phonon.h
# src/SPIN/pair_spin_dipole_cut.h
# src/SPIN/pair_spin_dipole_long.h
# src/STUBS/mpi.h
# src/UEF/fix_nh_uef.h
# src/fix_nvt_sllod.h
# tools/coding_standard/homepage.py
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2022-10-24 15:50:50 -04:00 |
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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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676dfe0e64
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add -nonbuf flag to help output
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2022-10-19 14:44:57 -04:00 |
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c898eae40a
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simplify
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2022-10-19 14:31:42 -04:00 |
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0382b33c73
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preserve suffixp during clear command
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2022-10-19 12:08:05 -04:00 |
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78305edf71
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delete atomfile style variables with clear command
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2022-10-18 07:34:06 -04:00 |
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c47b16c358
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cosmetic
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2022-10-14 05:08:24 -04:00 |
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5582dbc3d3
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handle the case of using -pk pair/only on
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2022-10-08 10:33:08 -04:00 |
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079351e081
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Don't unnecessarily reissue package command in post_create() via suffix
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2022-10-06 21:30:54 -07:00 |
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631f33feb5
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remove redundant calls
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2022-08-10 06:57:59 -04:00 |
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5c589dbe20
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add -nonbuf / -nb command line flag to disable buffering for screen and logfile
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2022-08-09 15:52:47 -04:00 |
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b5d5654399
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Merge branch 'develop' into long-string-variables
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2022-07-02 11:30:16 -04:00 |
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39b01a901f
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print warning when using I/O redirection with parallel runs
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2022-07-02 11:30:09 -04:00 |
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12d6983c9b
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more example bug fixes
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2022-06-15 17:08:54 -06:00 |
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a5745d925a
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new examples and debugging code changes
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2022-06-14 17:29:01 -06:00 |
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01bd3d1da0
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add functionality to auto-load plugins
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2022-03-11 05:52:26 -05:00 |
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d391ae845b
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convert static class members with git info to functions to simplify auto-export on Windows
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2022-01-27 17:20:05 -05:00 |
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