f1ef7d85a8
T2345: Replace instances of NULL with nullptr
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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
6274234376
have a single union ubuf definition in lmptype.h and remove others
2020-06-11 18:37:31 -04:00
d02363b8fb
adding a reset_ids sort option
2020-06-10 16:33:05 -06:00
8814fc0147
use const char * for compatibility with std::string.c_str()
2020-06-05 07:31:02 -04:00
88bf503451
Merge from master
2020-04-30 08:17:05 -06:00
5f68f3006f
replace Fix::box_change_xxx variables with Fix::box_change bitmask and add check to Domain::init()
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This allows a more specific tracking of whether multiple fixes are
modifying the same box parameter and error out in that case.
2020-02-08 15:12:26 -05:00
d8ef5f6991
added internal fix dummy command to enable more control of fix ordering
2019-11-05 12:57:34 -07:00
11a3fd6ce4
Merge pull request #1556 from lammps/bug-maxexchange
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more robust version of atom exchange size
2019-07-30 17:09:18 -04:00
eaf2b59b1b
adapt fix neigh/history/omp to changes for dynamic exchange buffer size
2019-07-24 16:53:03 -04:00
2fd327d057
more robust version of atom exchange size
2019-07-09 16:17:54 -06:00
84e156d380
first batch of changes suggested by using include-what-you-use tool
2019-06-27 09:14:36 -04:00
b2a7205abe
re-order ev_init() and ev_setup() so that 'init' comes before 'setup' as requested by @sjplimp
2019-03-25 11:31:23 -04:00
17c81295c2
use ev_init for fixes
2019-03-13 17:50:10 +01:00
01051e4cb1
refactoring of neighbor history
2017-10-10 16:53:51 -06:00
b3547a9eca
add infrastructure for enabling fixes to contribute to the virial by aidan
2017-09-11 11:09:59 -04:00
44841f6891
fix ave/chunk fixes, 2d disc option, fix_modify dynamic/dof
2017-03-23 15:31:27 -06:00
e261bef7bb
Spelling fixes in source files
2017-03-05 18:30:39 -05:00
f6a819580c
pair TIP4P bug fix for cutoffs >> box size
2017-01-06 09:57:27 -07:00
b3d2fb91bb
new fix wall/gran/region command, REBO bug fix, new example log files
2016-10-06 15:47:41 -06:00
c46be7db62
changes to imbalance weight factors
2016-10-05 10:33:39 -06:00
7d2809dd09
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15311 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-07-14 19:43:03 +00:00
c5aece5b43
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15289 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-07-12 22:40:15 +00:00
29e64df1ba
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15240 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-07-01 21:27:04 +00:00
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
b74ea86bcf
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15189 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-06-17 20:54:47 +00:00
951e7c916a
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15187 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-06-17 17:39:55 +00:00
50ac419d3f
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15159 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-06-08 23:15:55 +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
e91bd244af
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13708 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-07-24 15:50:34 +00:00
11de055c0f
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13644 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-07-17 23:33:36 +00:00
bd37304ade
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13332 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-03-30 23:17:06 +00:00
25b928b276
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13282 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-03-24 15:34:07 +00:00
0ed5c699cc
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13058 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-02-04 22:14:27 +00:00
e1cd500a21
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13008 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-01-30 18:51:56 +00:00
48cd742b52
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12998 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-01-28 17:19:47 +00:00
e72afc5488
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12955 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-01-19 23:38:26 +00:00
2cca373515
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12253 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-08-06 16:07:54 +00:00
425fad8f71
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2014-05-09 15:27:08 +00:00
7785c98703
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2014-05-06 17:37:44 +00:00
fd5b627cf0
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11887 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-05-02 15:49:01 +00:00
5bdd5c3c25
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2014-03-12 16:37:16 +00:00
2b40fd2349
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2014-03-10 22:16:18 +00:00
cb23c438fc
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2014-02-12 00:35:59 +00:00
32cfbb4e0d
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2014-02-07 21:17:44 +00:00
784d229527
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2014-02-07 21:17:22 +00:00
bad19033d0
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2014-01-17 18:43:09 +00:00
7292ac7402
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2014-01-07 20:53:12 +00:00
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2013-09-09 15:48:50 +00:00
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2013-08-21 17:34:16 +00:00
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2013-08-21 17:22:55 +00:00
