8d5149fade
Add citation information to GitHub
2022-07-26 19:52:01 -06:00
11897db197
add check on extracting elements twice from the library to avoid opaque error later
2022-07-26 15:00:27 -04:00
4f8a1ca526
correct formatting
2022-07-26 12:32:42 -04:00
e973a4b31c
workaround for CHIP-SPV different textrure func
2022-07-26 16:19:11 +00:00
b2cdc40919
Enable CHIP-SPV support
2022-07-26 16:00:43 +00:00
d347a27a39
add reference
2022-07-26 09:19:45 -04:00
5f67850171
correct typos
2022-07-25 22:32:59 -04:00
10c8a41ad8
Merge branch 'develop' into mdi-tweak
2022-07-25 14:27:41 -06:00
7b54b974d3
remove dead code
2022-07-25 11:48:21 -04:00
f736248efb
replace calls to pow() with faster functions for integer powers
2022-07-25 09:17:37 -04:00
6dc9664087
avoid uninitialized data access
2022-07-25 09:06:09 -04:00
e99494d838
fix copy-n-paste error
2022-07-25 09:02:54 -04:00
bcc49aca84
fix logic issue
2022-07-25 09:01:26 -04:00
762e79c49d
initialize possibly uninitialized variabled
2022-07-25 09:01:14 -04:00
87d1aef543
clarify whom to contact with questions about pre-built binaries. update ubuntu info
2022-07-24 18:12:04 -04:00
822fae05a2
more edits
2022-07-22 17:47:46 -06:00
f370a9a58a
less debug
2022-07-22 14:23:12 -06:00
fc596c03ec
more docs, less debug
2022-07-22 14:22:34 -06:00
cdf600b8cd
update description
2022-07-22 14:34:09 -04:00
40920ac6e1
improved error messages for duplicate or missing entries in manybody potential files
2022-07-22 12:41:43 -04:00
48ad917d9e
initialized pointers to null
2022-07-22 05:33:12 -04:00
c9c9139fd6
fix off-by-one error and resulting out-of-bounds write access.
2022-07-22 05:21:13 -04:00
5761647894
plug memory leak
2022-07-22 05:15:50 -04:00
7901a317c0
Initial version of an LAMMPS older version code update guide
2022-07-22 00:03:34 -04:00
1777f16d13
debug info
2022-07-21 17:03:13 -06:00
48aa9cf7ba
Merge pull request #3359 from akohlmey/correct-misc-mc-depend
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Add package dependency handling for pair style srp/react
2022-07-21 14:39:23 -04:00
16e85a9f89
Merge pull request #3360 from akohlmey/update-linalg
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Add missing functions for LATTE to linalg library
2022-07-21 13:09:56 -04:00
c8cc2b1b24
update to LAPACK version 3.10.1
2022-07-21 08:41:44 -04:00
11c46a6e90
correct dangling and inconsistent links to sphinx homepage and rst docs
2022-07-21 08:19:39 -04:00
1f4447d1cd
add USE_INTERNAL_LINALG to workaround passing BLAS/LAPACK settings to external projects
2022-07-21 05:42:23 -04:00
bf65b4720f
add more BLAS/LAPACK functions to support LATTE package
2022-07-21 05:20:11 -04:00
00cecceab7
gitignore
2022-07-21 03:55:53 +00:00
abb27ad1a5
remove debug line
2022-07-20 16:29:24 -06:00
10caba7fe0
more debugging for LATTE engine
2022-07-20 15:57:20 -06:00
3c99a6b5c4
Correctly handle the dependency of pair style (and fix) srp/react on the MC package
2022-07-20 17:01:44 -04:00
d6e8e044df
change what is required/optional for mdi plugin command
2022-07-20 09:55:19 -06:00
6f7839a516
Merge pull request #3355 from akohlmey/python-lookup-consistency
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Improve consistency in Python interpreter and libraries lookup in CMake
2022-07-20 11:51:22 -04:00
7cf77a5c2d
Merge branch 'lammps:develop' into mesocnt_stable
2022-07-20 14:31:40 +02:00
5eec9da8fe
make search for python libraries consistent with search for python interpreter
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- apply same semantics of selecting the interpreter than the main cmake script
- make certain that we search for the interpreter first
- when searching for the library find the version matching the interpreter
- error out when library version and interpreter version does not match
2022-07-19 13:28:43 -04:00
b655088657
adjust search for python interpreter so it is consistent with manual
2022-07-19 13:26:50 -04:00
ed73c21a21
Set path to python interpreter when running in a virtual environment
2022-07-19 13:25:05 -04:00
9061be98c2
Merge pull request #3349 from akohlmey/collected-small-changes
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Collected small changes
2022-07-18 16:39:42 -04:00
0ac8dce7b4
strip off -pendantic-errors flag when compiling with nvcc_wrapper to fix error compiling ML-PACE
2022-07-18 14:01:32 -04:00
3685d6974a
reorder initializers to silence compiler warning
2022-07-18 14:01:18 -04:00
a99d0aa28e
added error messages for special_lj and comm vel
2022-07-18 11:39:02 +02:00
7232261cea
correct unit tests for dump local
2022-07-17 12:15:44 -04:00
34cb0b7047
add support for dump_modify colname to dump local
2022-07-17 11:46:19 -04:00
a9c072488a
fix cut-n-paste error and improve error message
2022-07-17 11:42:28 -04:00
e856bb2364
silence static code analysis warnings about integer overflows
2022-07-16 10:26:57 -04:00
6689a20754
clarify
2022-07-16 10:26:57 -04:00
