93c7b6928f
remove dead code, silence compiler warnings
2021-12-23 01:32:31 -05:00
85433e8bd1
use true/false instead of 1/0 detected and changed by clang-tidy
2021-10-20 12:41:02 -04:00
09c19a936b
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
d1941392d3
disable clang-format for all existing .cpp files (for now)
2021-05-05 23:53:38 -04:00
51a20175c9
more code formatting consistency changes for loops and conditionals
2020-12-30 09:47:45 -05:00
6b2a98b537
ad few more manual updates of outdated, mistyped or no longer available URLs
2020-10-21 17:19:33 -04:00
adf74b3a22
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
f1ef7d85a8
T2345: Replace instances of NULL with nullptr
...
The following changes have been applied to src and lib folders:
regex replace: ([^"_])NULL ⇒ \1nullptr (8968 chgs in src, 1153 in lib)
Manually find/change: (void \*) nullptr ⇒ nullptr (1 case)
regex find: ".*?nullptr.*?"
Manually ~14 cases back to "NULL" in src, ~2 in lib
regex finds a few false positive where nullptr appears between two
strings in a function call
2020-09-12 09:34:38 -06:00
45f80f4f06
more include file updates found by iwyu
2020-09-02 22:52:22 -04:00
256531a29a
put implementation header first for all remaining main folder source files
2019-07-03 19:34:13 -04:00
42c31227d9
continuing to clean up include file lists
2019-07-01 15:59:16 -04:00
96744c4933
more include file cleanup
2019-06-30 15:53:17 -04:00
e4071d7f46
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
d55f968432
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15203 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-06-17 23:48:15 +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
463db58583
Made line quadratic default and changed backtrack alpha zero check to be more friendly
...
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12531 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-09-24 00:45:19 +00:00
45223c452c
Updated diagnostics
...
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12523 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-09-18 22:44:14 +00:00
5e1d34a23d
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11617 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-03-10 15:56:49 +00:00
72aa99b5b3
Increased MIN_ALPHA_FAC for line forcezero
...
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9198 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-01-02 20:30:55 +00:00
ef9e700545
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8226 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-06-06 22:47:51 +00:00
e4974ae9af
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8016 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-04-12 22:32:17 +00:00
3c613c4cf4
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7865 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-02-29 16:03:23 +00:00
9d88ab7ee1
Added forcezero linesearch method
...
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7675 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-02-02 23:19:33 +00:00
19e8c92a90
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7003 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2011-09-23 18:06:55 +00:00
aedbb28b6c
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6486 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2011-06-30 20:10:18 +00:00
5839e3ce06
Added EMACH to quadratic linesearch criteria
...
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5884 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2011-03-30 20:48:30 +00:00
7e51f7cb0c
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4888 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2010-09-29 23:38:32 +00:00
a5f54fa1e2
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4589 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2010-08-25 17:03:55 +00:00
b3132ab259
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4220 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2010-06-02 15:41:31 +00:00
7a5cf1480a
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4188 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2010-05-21 20:05:47 +00:00
58c1edd6c0
Same
...
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4053 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2010-04-27 20:52:14 +00:00
80ac665b3e
Added uphill check to quadratic linesearch.
...
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4052 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2010-04-27 20:39:55 +00:00
75c51a178d
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3951 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2010-04-02 16:53:40 +00:00
288e35f2d2
Updated quadratic linesearch relerr formula
...
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3488 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2009-12-03 20:47:28 +00:00
1ed625bb28
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3085 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2009-08-18 17:13:07 +00:00
10b4f9ec24
Pushed alpha step code blocks in to function
...
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3082 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2009-08-18 16:58:50 +00:00
abc264d968
Removed extra checks that were breaking anisotropic box_relax
...
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3080 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2009-08-18 16:13:16 +00:00
33ff40dd7e
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3074 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2009-08-14 20:54:10 +00:00
