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2f3c73217b
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detect if dt has been changed from default and print warning if reset by units command
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2020-09-15 10:50:44 -04:00 |
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9f4a991fc5
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move over doxygen comments for a few LAMMPS classes
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2020-09-08 16:36:29 -04:00 |
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a4a1f7e848
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more IWYU cleanup
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2020-09-02 23:49:17 -04:00 |
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f88f4cd60e
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more include file updates
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2020-09-02 21:44:04 -04:00 |
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96d8d12a88
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replace calls to force->*numeric() with the corresponding utils::*numeric()
this also removes the now obsolete functions from Force
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2020-08-29 20:31:02 -04:00 |
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741a1d1fc9
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move Input::expand_args() to utils::expand_args()
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2020-08-29 18:32:10 -04:00 |
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da66516dec
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use references when creating styles
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2020-07-13 09:40:58 -04:00 |
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f8ad39e7d1
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simplify fix generation for package commands
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2020-07-12 21:40:22 -04:00 |
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207232c1a3
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avoid illegal free()
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2020-07-11 13:12:50 -04:00 |
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d0c544224f
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avoid exception when having a command fail due to an empty string
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2020-07-11 13:06:31 -04:00 |
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f1abfe2411
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avoid segfault when calling the log command without arguments
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2020-07-06 10:25:37 -04:00 |
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83d58ba57d
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we may not use "suffix on" before a suffix is defined. switching back to a non-hybrid suffix must set suffix2 to NULL
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2020-07-06 00:10:43 -04:00 |
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84ec2cc39b
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simplify more code with std::string and fmtlib
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2020-06-25 23:13:28 -04:00 |
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e4a3a518f7
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more use of fmtlib and std::string
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2020-06-25 22:50:38 -04:00 |
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7ace10238d
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change interface to Input::write_echo() to accept const std::string
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2020-06-11 10:23:44 -04:00 |
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54a8b4e08b
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more local buffers removed and file error status added.
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2020-06-04 20:14:19 -04:00 |
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62ee8d41f3
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get rid of local buffers and snprinf()
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2020-06-04 16:41:24 -04:00 |
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dd11fb3964
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remove .c_str() and simplify output in several places
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2020-06-03 16:37:30 -04:00 |
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1930a8fd00
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make some more use of {fmt} in lammps.cpp
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2020-05-27 05:29:42 -04:00 |
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649a8cc01a
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Fix typo
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2020-03-14 13:57:48 +09:00 |
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02e6ce32ea
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Add Kokkos version of minimize
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2019-08-28 09:41:15 -06:00 |
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6833d6def6
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Merge branch 'master' into kim-simulator-models
# Resolved Conflicts:
# src/KIM/kim_query.cpp
# src/KIM/pair_kim.cpp
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2019-07-29 20:43:10 -04:00 |
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ea4107c4b4
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add write_echo() method to Input class for logging implicit commands where the echo command would send explicit ones
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2019-07-29 16:36:57 -04:00 |
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06dcc9e283
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Merge branch 'master' into improve-include-consistency
# Conflicts:
# src/USER-MESO/atom_vec_tdpd.cpp
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2019-07-09 14:50:00 -04:00 |
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c00f2adb42
|
Merge pull request #1544 from akohlmey/collected-small-fixes
Collected small changes and bugfixes for the next patch release
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2019-07-05 20:33:55 -04:00 |
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256531a29a
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put implementation header first for all remaining main folder source files
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2019-07-03 19:34:13 -04:00 |
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6fc5810bb4
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with the refactored include handling we can allow include in if/then/else
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2019-07-02 01:31:19 -04:00 |
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b727f0b126
|
Merge pull request #1537 from akohlmey/refactor-input-file-handling
Refactor input file processing flow of control
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2019-07-01 17:28:15 -04:00 |
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62bddd47ee
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limit number of nested include file levels to 16
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2019-07-01 00:01:41 -04:00 |
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96744c4933
|
more include file cleanup
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2019-06-30 15:53:17 -04:00 |
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13237155c8
|
make processing of Input::file(const char* filename) more like processing an include file
|
2019-06-24 14:24:54 -04:00 |
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7f26862f98
|
simplify nested include file handling
# Conflicts:
# src/input.h
|
2019-06-24 14:16:51 -04:00 |
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826a14f54a
|
add workaround for handline include files
# Conflicts:
# src/input.h
|
2019-06-24 14:16:00 -04:00 |
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f190647ab4
|
use snprintf() instead of sprintf() to avoid buffer overflows when copying style names
|
2019-06-21 21:23:20 -04:00 |
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02e7dd5716
|
also allow %e in format variables of suffix
|
2019-05-30 14:52:26 -04:00 |
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1a5c3c6dcb
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add check that allows only %f and %g conversions in variable format strings
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2019-05-30 14:46:07 -04:00 |
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4c021dad37
|
port spell fixes to source code
|
2018-11-20 00:09:11 -05:00 |
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1fc3b4618c
|
remove dead code and silence compiler warnings
|
2018-11-15 16:50:56 -05:00 |
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7deb1df2b6
|
split kspace style constructor into plain constructor and settings() method
|
2018-10-18 16:30:45 -04:00 |
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ca04e8f31c
|
use snprintf() in a bunch of cases to avoid overflowing fixed size buffers with unchecked strings
|
2018-09-06 02:57:53 -04:00 |
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cbfb751e92
|
made latte.in compatible with v1.1.1 and updated log files
|
2018-06-21 11:10:29 -06:00 |
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c5b51df06e
|
Add support for inline format strings to immediate variable substitution
|
2018-06-14 14:17:37 +02:00 |
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e4071d7f46
|
replace C-style include files with their C++ equivalents
|
2018-04-27 18:00:24 -04:00 |
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59dbb49cf9
|
remove trailing whitespace
|
2018-03-16 12:37:27 -04:00 |
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ee862d8bf5
|
replace leading tabs
|
2018-03-16 12:34:33 -04:00 |
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42e03da70c
|
Remove redundant #include in input.cpp
|
2017-12-01 13:16:35 -07:00 |
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2e40c00995
|
add option to the print command to also print to the global universe screen and logfile
|
2017-11-07 10:00:57 -05:00 |
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0f971bf07c
|
print name of unknown or incorrect variable in error message
|
2017-11-06 10:41:32 -05:00 |
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d898afaafb
|
use <> for system includes not ""
|
2017-09-29 09:19:38 -04:00 |
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c8741f3a01
|
remove special_bonds extra keyword and refer to read_data and create_box instead
|
2017-08-10 15:12:56 -04:00 |
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