adf74b3a22
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
f5998692d0
Merge branch 'master' into math_eigen
2020-09-15 21:37:05 -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
eb6f7f9740
Merge branch 'master' into math_eigen
2020-09-06 10:59:20 -07:00
57f82abae3
updated all code in LAMMPS to use the open-source "math_eigen.h" instead of "math_extra.h". Code in "lib" now uses its own abbreviated local version of the "math_eigen.h" file (which is named "jacobi_pd.h"), since it is not clear how code from "lib/" can access the code in "src/"
2020-09-05 01:39:27 -07:00
390c6ba106
rechecking some corefiles with IWYU after the many updates
2020-09-03 15:28:07 -04:00
f88f4cd60e
more include file updates
2020-09-02 21:44:04 -04:00
96d8d12a88
replace calls to force->*numeric() with the corresponding utils::*numeric()
...
this also removes the now obsolete functions from Force
2020-08-29 20:31:02 -04:00
93ed07f445
accept const std::string as argument in Group::find()
2020-07-17 21:26:53 -04:00
e6c4036a62
Merge branch 'master' into more-internal-convenience
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# Conflicts:
# src/group.cpp
2020-06-29 11:50:43 -04:00
3cd1341e64
make more use of convenience functions for adding fixes and computes
2020-06-28 18:57:22 -04:00
f0a983b465
add group::assign convenience version
2020-06-28 17:46:08 -04:00
62a7cd0693
more accurate dummy variable name
2020-06-26 22:15:31 -06:00
7f05c578f5
add group::assign convenience version
2020-06-26 21:36:12 -06:00
3c78ad0a70
make more use of std::string and fmtlib where beneficial
2020-06-25 21:13:14 -04:00
cad6293078
use new utils::sfread() utility function in several classes
2019-10-17 11:29:08 -04:00
7967cb1133
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
96744c4933
more include file cleanup
2019-06-30 15:53:17 -04:00
e56d69a267
silence compiler warnings
2019-04-05 16:52:03 -04:00
e62746ef27
protect group command against options that require unavailble properties resulting in segfaults
2019-03-07 15:38:23 -05:00
e9bc939098
Fix more unused parameter warnings ( #1076 )
2018-08-23 12:22:44 -06:00
d27215b7e1
enable more correct natoms computation when atoms are lost
2018-08-07 15:05:07 -06:00
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
1a213363f1
add group style to create an empty group directly
2018-02-13 14:54:30 +01:00
fcc387f232
change ring communication API to no longer require a static variable pointing to 'this' of the caller
2017-06-14 17:01:06 -04:00
ee4a1f0452
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15559 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-09-07 16:12:51 +00:00
d3694613fd
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15558 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-09-07 15:49:34 +00:00
bf0c18a0f2
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15557 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-09-06 23:19:15 +00:00
f67a9722ea
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15554 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-09-06 23:01:25 +00:00
56945a56aa
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15547 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-09-06 21:55:39 +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
047be536bc
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13983 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-09-02 20:39:55 +00:00
1ebb654b4d
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13643 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-07-17 23:20:48 +00:00
7872ffe797
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12157 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-06-27 23:28:02 +00:00
86ebaafa0c
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12054 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-06-02 14:24:56 +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
af5d91115f
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11875 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-05-02 14:28:56 +00:00
f3e58c8d0a
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11841 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-04-29 22:43:28 +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
1646c124b1
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11700 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-04-04 16:36:51 +00:00
f756726383
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11490 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-02-05 21:31:26 +00:00
e78efeee6a
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11482 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-02-05 19:38:49 +00:00
76e7a949bd
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11476 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-02-05 17:30:23 +00:00
127eb167c1
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11293 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-01-22 17:44:32 +00:00
bad19033d0
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11250 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-01-17 18:43:09 +00:00
a1ef01fc1a
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11243 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-01-14 16:17:20 +00:00
2a88462ff1
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10516 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-08-02 14:50:05 +00:00
aa33af4032
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10160 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-06-28 19:00:58 +00:00
7bf4308376
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9865 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-05-10 18:23:33 +00:00
