649a8cc01a
Fix typo
2020-03-14 13:57:48 +09:00
02e6ce32ea
Add Kokkos version of minimize
2019-08-28 09:41:15 -06:00
6833d6def6
Merge branch 'master' into kim-simulator-models
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# Resolved Conflicts:
# src/KIM/kim_query.cpp
# src/KIM/pair_kim.cpp
2019-07-29 20:43:10 -04:00
ea4107c4b4
add write_echo() method to Input class for logging implicit commands where the echo command would send explicit ones
2019-07-29 16:36:57 -04:00
06dcc9e283
Merge branch 'master' into improve-include-consistency
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# Conflicts:
# src/USER-MESO/atom_vec_tdpd.cpp
2019-07-09 14:50:00 -04:00
c00f2adb42
Merge pull request #1544 from akohlmey/collected-small-fixes
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Collected small changes and bugfixes for the next patch release
2019-07-05 20:33:55 -04:00
256531a29a
put implementation header first for all remaining main folder source files
2019-07-03 19:34:13 -04:00
6fc5810bb4
with the refactored include handling we can allow include in if/then/else
2019-07-02 01:31:19 -04:00
b727f0b126
Merge pull request #1537 from akohlmey/refactor-input-file-handling
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Refactor input file processing flow of control
2019-07-01 17:28:15 -04:00
62bddd47ee
limit number of nested include file levels to 16
2019-07-01 00:01:41 -04:00
96744c4933
more include file cleanup
2019-06-30 15:53:17 -04:00
13237155c8
make processing of Input::file(const char* filename) more like processing an include file
2019-06-24 14:24:54 -04:00
7f26862f98
simplify nested include file handling
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# Conflicts:
# src/input.h
2019-06-24 14:16:51 -04:00
826a14f54a
add workaround for handline include files
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# Conflicts:
# src/input.h
2019-06-24 14:16:00 -04:00
f190647ab4
use snprintf() instead of sprintf() to avoid buffer overflows when copying style names
2019-06-21 21:23:20 -04:00
02e7dd5716
also allow %e in format variables of suffix
2019-05-30 14:52:26 -04:00
1a5c3c6dcb
add check that allows only %f and %g conversions in variable format strings
2019-05-30 14:46:07 -04:00
4c021dad37
port spell fixes to source code
2018-11-20 00:09:11 -05:00
1fc3b4618c
remove dead code and silence compiler warnings
2018-11-15 16:50:56 -05:00
7deb1df2b6
split kspace style constructor into plain constructor and settings() method
2018-10-18 16:30:45 -04:00
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
cbfb751e92
made latte.in compatible with v1.1.1 and updated log files
2018-06-21 11:10:29 -06:00
c5b51df06e
Add support for inline format strings to immediate variable substitution
2018-06-14 14:17:37 +02:00
e4071d7f46
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
59dbb49cf9
remove trailing whitespace
2018-03-16 12:37:27 -04:00
ee862d8bf5
replace leading tabs
2018-03-16 12:34:33 -04:00
42e03da70c
Remove redundant #include in input.cpp
2017-12-01 13:16:35 -07:00
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
0f971bf07c
print name of unknown or incorrect variable in error message
2017-11-06 10:41:32 -05:00
d898afaafb
use <> for system includes not ""
2017-09-29 09:19:38 -04:00
c8741f3a01
remove special_bonds extra keyword and refer to read_data and create_box instead
2017-08-10 15:12:56 -04:00
99a68e487f
fix suffix style handling bug for adding fixes and computes
2017-05-25 02:01:04 -04:00
1a81da0f73
print the last input line, when error->all() is called
...
this should help tracking down input file errors for many
common cases without having to repeat the run with -echo screen
and avoid having to explain how to use that feature all the time
2017-01-09 17:03:06 -05:00
31204aab6a
sync with SVN
2016-11-08 08:57:51 -07:00
218e121b41
Merge branch 'master' into bounds-error-with-code-line
2016-10-28 11:11:28 -04:00
d9891abdf4
new library functions
2016-10-27 09:34:04 -06:00
f9a9e27f5a
add error location propagation to atom->set_mass() and atom->check_mass()
2016-10-26 16:01:40 -04:00
35753b8f08
add error location propagation to force->bounds() and force->boundsbig()
2016-10-26 15:53:02 -04:00
b190abea39
sync with GH
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15561 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-09-08 20:20:32 +00:00
639ea6c396
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15468 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-08-10 14:59:04 +00:00
ce5f174281
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15414 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-08-01 20:35:57 +00:00
04e401ae4b
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15080 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-05-31 16:20:32 +00:00
13c5549009
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14809 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-04-07 21:12:44 +00:00
86fc7d455c
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14767 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-03-22 00:17:14 +00:00
70aa37e4c8
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14589 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-02-15 15:26:57 +00:00
354e20f431
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 20:04:06 +00:00
cee848f948
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14164 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-22 22:06:49 +00:00
ef82677cb2
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14129 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-21 18:51:09 +00:00
fa6ad89b99
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14091 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-05 15:20:06 +00:00
8fd8c25e7c
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14074 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-09-24 22:52:11 +00:00
