|
|
8949b2f165
|
add recently added names to false positives list
|
2020-07-15 15:31:12 -04:00 |
|
|
|
bf37e6aae1
|
Merge branch 'master' into write-bonus-data
|
2020-07-15 15:20:34 -04:00 |
|
|
|
7a312ca8d8
|
Merge pull request #2231 from stanmoore1/reax_hybrid
Fix issue with Kokkos ReaxFF and pair hybrid
|
2020-07-15 14:35:35 -04:00 |
|
|
|
28ee835103
|
Update fix_widom.rst
|
2020-07-15 20:35:15 +02:00 |
|
|
|
1a738f80e2
|
Update false_positives.txt
|
2020-07-15 20:14:17 +02:00 |
|
|
|
4cbe095444
|
Merge pull request #2234 from akohlmey/collected-small-fixes
Collected small fixes and unittest updates
|
2020-07-15 14:13:21 -04:00 |
|
|
|
41a7557cc9
|
first attempt of a documentation file
|
2020-07-15 18:53:04 +02:00 |
|
|
|
74aa1d482a
|
Add missing sync
|
2020-07-15 10:48:39 -06:00 |
|
|
|
b37b45c817
|
use fmtlib to remove BIGINT_FORMAT
|
2020-07-15 11:55:08 -04:00 |
|
|
|
aa82608142
|
print warning for unknown/unsupported CUDA versions
|
2020-07-15 11:28:33 -04:00 |
|
|
|
a082895b90
|
update CMake script for GPU package to include handling of Arch 8.0 and CUDA 11
|
2020-07-15 11:08:06 -04:00 |
|
|
|
8108063f47
|
small bug fix for gather()
|
2020-07-15 12:21:03 +02:00 |
|
|
|
6c5d928358
|
small bug fix for gather()
|
2020-07-15 11:45:23 +02:00 |
|
|
|
2580ca78f4
|
guard better against 32-bit overflows for reax/c lists
|
2020-07-15 00:13:33 -04:00 |
|
|
|
e3818f031b
|
don't use error class if pointer variable has not been initialized
|
2020-07-15 00:12:31 -04:00 |
|
|
|
2fb0f95324
|
check against BODY package for body styles
|
2020-07-14 18:41:52 -04:00 |
|
|
|
ad818717cc
|
complete tester module for atom style body/nparticle
|
2020-07-14 18:36:50 -04:00 |
|
|
|
a7a63ee3fb
|
Merge branch 'write-bonus-data' of github.com:lammps/lammps into write-bonus-data
|
2020-07-14 16:48:01 -04:00 |
|
|
|
d37bb0fd6f
|
update intel compiler requirements and document alignment issues
|
2020-07-14 16:24:17 -04:00 |
|
|
|
449d7be8f8
|
updated rules for rounded body particles
|
2020-07-14 13:25:17 -06:00 |
|
|
|
1ddd8aa97c
|
Merge branch 'master' into collected-small-fixes
|
2020-07-14 14:00:24 -04:00 |
|
|
|
d3392dba45
|
update tester some more
|
2020-07-14 13:59:55 -04:00 |
|
|
|
fd2b5b1cd8
|
switch completed section from EXPECT to ASSERT
|
2020-07-14 12:45:54 -04:00 |
|
|
|
bc3860b462
|
must advance buffer while package bonus items, but only when a buffer is given
|
2020-07-14 12:45:22 -04:00 |
|
|
|
b33974cd19
|
add code to check for duplicate atom IDs in Bodies section
|
2020-07-14 12:44:50 -04:00 |
|
|
|
be440c7125
|
revert incorrect zeroing of non-existing inertia array elements
|
2020-07-14 12:44:24 -04:00 |
|
|
|
dcbdc7452b
|
Don't need virtual keyword
|
2020-07-14 09:57:04 -06:00 |
|
|
|
d6e6b840e9
|
update body/nparticle tester
|
2020-07-14 11:06:06 -04:00 |
|
|
|
548629958e
|
zero all six moments of inertia if small.
|
2020-07-14 11:05:44 -04:00 |
|
|
|
001dcb6bb1
|
Fix issue with Kokkos ReaxFF and pair hybrid
|
2020-07-14 09:02:57 -06:00 |
|
|
|
9068d17afc
|
Merge pull request #2229 from ellio167/pair_kim_before_box
Update pair_kim.cpp so settings() may come before box is defined
|
2020-07-14 10:24:05 -04:00 |
|
|
|
113825f8fc
|
silence compiler warning
|
2020-07-14 08:12:51 -04:00 |
|
|
|
20824203ab
|
Merge branch 'write-bonus-data' of github.com:lammps/lammps into write-bonus-data
|
2020-07-14 08:11:29 -04:00 |
|
|
|
18928c6602
|
start writing tester for body/nparticle
|
2020-07-14 08:11:18 -04:00 |
|
|
|
4b9c2ab1f1
|
start writing tester for body/nparticle
|
2020-07-14 07:21:25 -04:00 |
|
|
|
a88237df99
|
source code for fix widom
|
2020-07-14 13:17:20 +02:00 |
|
|
|
ea1d447703
|
fix bug in tester for atom style tri
|
2020-07-13 21:49:18 -04:00 |
|
|
|
5a73b1de98
|
fix typo, reformat paragraph
|
2020-07-13 21:48:15 -04:00 |
|
|
|
e5d532c2c1
|
simplify and make more readable using utils:: functions
|
2020-07-13 18:59:21 -04:00 |
|
|
|
40e3fcd750
|
tweak output format
|
2020-07-13 18:58:43 -04:00 |
|
|
|
46675361a6
|
remove unused class members
|
2020-07-13 18:58:35 -04:00 |
|
|
|
315c829bd2
|
tweak box output format to include decimal point
|
2020-07-13 15:59:47 -04:00 |
|
|
|
c589dd5894
|
consistent initialization and setting of _nthreads and comm->nthreads
|
2020-07-13 15:59:29 -04:00 |
|
|
|
6c28adcf3b
|
make sure _need_tag is initialized
|
2020-07-13 15:59:05 -04:00 |
|
|
|
da66516dec
|
use references when creating styles
|
2020-07-13 09:40:58 -04:00 |
|
|
|
3847a3000c
|
paranoia
|
2020-07-12 21:40:30 -04:00 |
|
|
|
f8ad39e7d1
|
simplify fix generation for package commands
|
2020-07-12 21:40:22 -04:00 |
|
|
|
1c5c2d8f22
|
Merge branch 'master' into reset-molecules
|
2020-07-12 20:36:34 -04:00 |
|
|
|
db289ba0b3
|
update all force style reference results after refactoring of test codes
|
2020-07-12 20:36:10 -04:00 |
|
|
|
24b5cd7dec
|
rename test programs to be consistent with the other programs in the unittest tree
|
2020-07-12 19:22:14 -04:00 |
|
