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
...
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
9effcca0df
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14025 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-09-11 14:49:37 +00:00
cc7cb87584
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13940 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-08-28 20:06:12 +00:00
ce59e32d1c
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13937 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-08-28 20:00:56 +00:00
46fd9013a5
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13235 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-03-17 16:01:48 +00:00
58a11d6bc2
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12474 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-09-10 19:39:31 +00:00
4374200a77
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12458 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-09-09 22:30:16 +00:00
b57945c40e
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12457 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-09-09 21:15:33 +00:00
b843c808a5
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12455 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-09-09 19:23:31 +00:00
f981460023
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12331 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-08-15 15:29:35 +00:00
3f6a802867
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12320 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-08-14 20:44:10 +00:00
af7d84de2d
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12317 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-08-14 20:14:37 +00:00
0f6eb0877e
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12310 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-08-14 16:30:03 +00:00
0e4940441e
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12262 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-08-06 20:56:34 +00:00
4455b66003
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12207 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-07-28 19:58:51 +00:00
2da52d8d9d
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12029 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-05-27 14:25:40 +00:00
db0cac35a2
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11996 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-05-15 15:51:22 +00:00
94831bf7a4
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11984 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-05-13 16:29:06 +00:00
6c06a66ae7
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11978 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-05-13 15:23:13 +00:00
0916861315
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11777 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-04-11 14:46:49 +00:00
