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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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d13634cd6b
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move definition of MAXBIGINT_DOUBLE to variable.cpp
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2023-02-14 15:37:59 -05:00 |
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fbe30ffec6
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use MAXBIGINT_DOUBLE which does not overflow when casting back to bigint
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2023-02-13 10:56:02 -05:00 |
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83831ca222
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Update variable.cpp
I remembered that I forgot to remove these commented printf() calls.
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2023-02-06 10:23:22 -07:00 |
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6707ab6182
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avoid illegal memory access in destructor after variables have been deleted
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2023-02-03 20:23:41 -05:00 |
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5d941da4e9
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check if variable value is a valid number before converting it
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2023-01-26 07:10:20 -05:00 |
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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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334643b300
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avoid sprintf()
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2023-01-07 16:13:27 -05:00 |
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d572d8f051
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avoid sprintf() through C++ features and libfmt
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2023-01-07 15:47:46 -05:00 |
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4a92316cf2
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improve error message
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2022-12-07 15:02:59 -05:00 |
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b6b81a951a
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improve error reporting for python style variables
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2022-11-10 17:17:23 -05:00 |
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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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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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cbe83701c1
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better checking for valid data for format style variables
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2022-09-30 15:06:25 -04:00 |
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172106717d
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must match the entire string
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2022-09-30 15:05:41 -04:00 |
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ec0bc5aa5e
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improve detection of invalid format strings. allow to replace format style variables
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2022-09-30 09:57:42 -04:00 |
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97717d7cba
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update parser for label2type() function with better argument checking and handling of ',' in labels
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2022-09-07 15:36:46 -04:00 |
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55f97e5fbc
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whitespace
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2022-09-06 19:15:18 -04:00 |
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1d986280ce
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rename variable special function to retrieve types for labels to label2type()
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2022-09-06 18:56:00 -04:00 |
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9b41d28947
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Merge branch 'develop' into type-labels
# Conflicts:
# doc/src/dihedral_coeff.rst
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2022-09-01 21:09:04 -04:00 |
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69b32aef13
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Merge remote-tracking branch 'github/develop' into collected-small-changes
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2022-08-27 10:12:58 -04:00 |
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b31b20f336
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print error if extract_setting() uses unknown setting string.
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2022-08-27 07:02:19 -04:00 |
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60b00bfa8f
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update unit tests for variable command
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2022-08-25 05:48:07 -04:00 |
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59837dd44b
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improve error messages in run and variable.cpp
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2022-08-25 11:09:21 +08:00 |
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363b80f85c
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begin unfeaturing multiple label maps feature
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2022-08-09 01:01:31 -04:00 |
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f9717049b1
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Merge branch 'develop' into type-labels
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2022-08-08 17:16:50 -04:00 |
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4ac74a4153
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add is_os() special function to the variable command
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2022-08-06 21:44:03 -04:00 |
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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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34aca71258
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disallow use of variable functions vdisplace(), swiggle(), and cwiggle() with fix dt/reset
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2022-07-16 10:26:56 -04:00 |
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d51069b363
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fix cut-n-paste typo
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2022-07-16 10:26:56 -04:00 |
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9e1685211b
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allow ramp(x,y) to be used in between runs (returning x) and avoid division by zero on run 0
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2022-07-16 10:26:56 -04:00 |
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8d8f7983fb
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fix bug in recent bugfix
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2022-06-29 16:45:11 -04:00 |
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137dc6243e
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whitespace
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2022-06-29 12:25:15 -04:00 |
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1fabd5a56b
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change boolean = single string to an error
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2022-06-29 07:49:22 -06:00 |
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1dc71ef3e3
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better error strings
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2022-06-28 16:38:51 -06:00 |
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e4e9b2e49a
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more consistency checks
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2022-06-28 16:37:04 -06:00 |
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ae235b1ef5
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Boolean expression corner case
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2022-06-28 16:19:06 -06:00 |
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d4ea5ca49e
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more clang-tidy fixes after re-running it with added settings
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2022-05-14 07:18:05 -04:00 |
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90797d53d9
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one more batch of clang-tidy fixes
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2022-05-13 23:21:14 -04:00 |
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907bc7eaa5
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switch to using wall time
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2022-05-06 16:58:28 -04:00 |
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6e78269612
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whitespace
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2022-05-06 15:11:15 -04:00 |
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f3fcd16628
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adding of timer-style variables and associated doc pages
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2022-05-06 11:21:36 -06:00 |
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5784fab588
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starting to add timer-style variable
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2022-05-05 17:04:50 -06:00 |
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aa4787f604
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complete region handling refactor
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2022-04-16 00:17:39 -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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39b316729b
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use auto type when assigning from cast or using new
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2022-04-10 18:16:36 -04:00 |
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d7f95da8f3
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add extract_setting special function to variable command
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2022-03-28 08:00:29 -04:00 |
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