a4b3306b7c
fix error message
2023-07-10 18:48:13 -04:00
8ae5ab57fc
non-ellipsoid particles you have a 1,0,0,0 quaternion and 1,1,1 shape
2023-07-06 09:17:27 -04:00
2132b1d904
update developer reference text
2022-10-24 11:08:26 -04:00
cccf3f6f78
change email for contacting LAMMPS developers, add to homepage checker
2022-10-20 20:36:03 -04:00
7e8e40fefa
correcting memory issue in SPIN/compute_spin.cpp
...
removing incorrect line in compute_property_atom.cpp
2022-09-21 09:34:30 +02:00
62b0024425
removing small bug in compute_atom_property.cpp
2022-09-20 19:07:38 +02:00
67f6adebb7
whitespace fixup with dynamic casts
2022-09-10 13:26:38 -04:00
238e6371b2
improve error message
2022-08-30 06:21:01 -04:00
f6b2846b8f
update error messages for compute property/atom
2022-08-29 22:42:20 -04:00
36723853c9
Merge branch 'develop' into BPM
2022-04-11 12:18:34 -04:00
200b4f13c7
use dynamic cast instead of c-style cast when casting from base type to derived class
2022-04-10 18:18:06 -04:00
bb720626e3
Adding files for BPM
2021-08-27 09:22:56 -06:00
b19a211d70
update code
2021-08-18 18:06:21 -04:00
f6874af7e5
pretty
2021-08-18 18:05:36 -04:00
e08c4abb4b
whitespace fixes
2021-08-18 13:06:00 -04:00
2bf9fa91db
more changes to merge with current master
2021-08-17 14:03:58 -06:00
e6af1eecb8
resolved merge conflicts with master
2021-08-17 11:55:33 -06:00
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
24bf1e5b0c
make use of utils::strdup()
2021-02-04 17:33:02 -05:00
4e791ac4f7
replace 'strstr(xxx,"x_") == xxx' with utils::strmatch("^x_")
2021-02-04 15:20:43 -05:00
95e2214d96
more typecasts to double to avoid 32-bit int overflows when computing memory usage
2021-02-04 14:35:38 -05:00
0b14770468
merge with current master
2021-01-11 16:13:33 -07:00
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
d1442b0538
enable per-atom custom arrays in addition to vectors
2020-09-04 11:33:49 -06:00
443cc4445e
have compute property/atom output shape parameters as diameters not radii consistent with the manual
2020-07-05 16:44:44 -04:00
bddd6d5e84
update
2020-05-19 23:19:49 -04:00
fa4ef70829
code issues
2020-03-25 20:18:07 -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
ff819be807
more 'war on tabs'
2019-03-29 10:21:44 -04:00
1641f78e3e
Merge from lammps master
2018-05-21 16:06:53 -06:00
e4071d7f46
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
a315599bac
Commit modifs before release 1 (03/26/18)
2018-04-26 15:26:31 -06:00
ae5764beac
added functionity to lib interface
2016-12-13 16:22:17 -07:00
083ff54c0c
small bug fixes
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15527 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-08-31 20:26:15 +00:00
2993aec312
sync with Git
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15519 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-08-29 22:52:03 +00:00
876b033ea8
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15083 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-05-31 16:33:07 +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
1cf0407a49
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12615 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-10-07 20:49:34 +00:00
f01d9363e7
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12197 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-07-22 22:52:44 +00:00
01820feacd
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12075 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-06-04 22:30:13 +00:00
47b6b3bb41
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12073 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-06-04 22:12:23 +00:00
1b6af8196f
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11775 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-04-11 14:41:25 +00:00
0ce16af78b
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11328 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-01-25 22:46:08 +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
328cbc4db9
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10351 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-07-25 20:24:46 +00:00
0c6b84987c
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9346 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-01-31 16:31:03 +00:00
4c71fc2311
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9270 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-01-14 15:56:34 +00:00
