|
|
4d545b3539
|
remove Fortran library and the styles based on it from MESONT package
|
2023-01-20 18:29:54 -05:00 |
|
|
|
ef692258b4
|
Merge pull request #3532 from stanmoore1/kk_occupancy
Update Kokkos version in LAMMPS to 3.7.1
|
2023-01-20 17:52:05 -05:00 |
|
|
|
6477b19702
|
Backport kokkos 4dab4e0 from @weinbe2
|
2023-01-20 11:12:09 -07:00 |
|
|
|
4ee8cd8bf5
|
fix broken Lepton library compilation for traditional make build system
|
2023-01-20 12:13:31 -05:00 |
|
|
|
936ef7f92a
|
Backport more Kokkos changes
|
2023-01-20 07:40:52 -07:00 |
|
|
|
13d4344999
|
Merge branch 'develop' of github.com:lammps/lammps into kk_occupancy
|
2023-01-20 07:32:46 -07:00 |
|
|
|
819ab9f2ff
|
portability improvements for Solaris/OpenIndiana
|
2023-01-19 17:36:02 -05:00 |
|
|
|
fbbe66c8bd
|
Merge branch 'develop' into lepton-package
|
2023-01-06 17:53:23 -05:00 |
|
|
|
3f496905d6
|
Merge branch 'develop' into lepton-package
|
2023-01-06 00:44:28 -05:00 |
|
|
|
01d9033e2d
|
Merge branch 'develop' into collected-small-changes
|
2023-01-05 23:36:45 -05:00 |
|
|
|
3bf527d070
|
Merge pull request #3579 from akohlmey/linalg-in-cpp
Convert linalg library from Fortran to C++
|
2023-01-05 21:16:06 -05:00 |
|
|
|
821b34de78
|
Merge pull request #3585 from yury-lysogorskiy/feature/pace-extrapolation-kokkos
Feature/pace extrapolation kokkos
|
2023-01-05 19:15:49 -05:00 |
|
|
|
8644a6601d
|
Merge branch 'develop' of https://github.com/lammps/lammps into kk_occupancy
|
2023-01-04 19:59:32 +00:00 |
|
|
|
5cbe303af4
|
Merge branch 'develop' into collected-small-changes
|
2023-01-04 07:28:03 -05:00 |
|
|
|
aee3ba7c6b
|
Backport kokkos/kokkos@f64e5a6
|
2023-01-03 12:32:30 -07:00 |
|
|
|
d9abc3fcc0
|
update CUDA Toolkit / GPU compatibility lists and GPU package compilation settings
|
2023-01-03 11:56:44 -05:00 |
|
|
|
e033cebcdd
|
update lammps-user-pace version and checksum
|
2023-01-03 14:30:04 +01:00 |
|
|
|
396d577f40
|
port DPD exclusions corrections to GPU package
|
2023-01-02 12:04:10 -05:00 |
|
|
|
57790ef35f
|
remove fortran sources and update README with pointer to the conversion package
|
2022-12-31 16:59:25 -05:00 |
|
|
|
49eb9ca5fd
|
revert to using the unions. looks nicer and passes the tests.
|
2022-12-29 19:10:15 -05:00 |
|
|
|
6e60131f14
|
Windows portability changes
|
2022-12-28 20:53:53 -05:00 |
|
|
|
dba3eb0cf7
|
make AWPMD compatible with MSVC and c++-linalg on Windows
|
2022-12-28 17:39:38 -05:00 |
|
|
|
57713cf9a3
|
remove redundant comments from generated C++ files. clean up with clang-format.
|
2022-12-28 16:44:38 -05:00 |
|
|
|
f157ba2389
|
add some f2c runtime functions, remove exception, avoid name conflict with libgfortran
|
2022-12-28 16:00:38 -05:00 |
|
|
|
1e8b2ad5a0
|
whitespace fixes
|
2022-12-28 13:48:43 -05:00 |
|
|
|
a894cbfbb7
|
update linalg README
|
2022-12-28 13:48:43 -05:00 |
|
|
|
119fae3b8c
|
remove unused code
|
2022-12-28 13:48:43 -05:00 |
|
|
|
52fb2e8156
|
don't need to link to Fortran runtime with linalg anymore
|
2022-12-28 13:48:36 -05:00 |
|
|
|
c5a87f75d6
|
convert linalg library from Fortran to C++
|
2022-12-28 13:18:38 -05:00 |
|
|
|
7cceabe5bd
|
ILAENV function does not use IPARAM2STAGE anymore
|
2022-12-28 12:17:49 -05:00 |
|
|
|
6f0216af75
|
ILAENV function does not use IPARAM2STAGE anymore
|
2022-12-28 12:17:19 -05:00 |
|
|
|
67156420d4
|
avoid out-of-range read
|
2022-12-28 00:19:59 -05:00 |
|
|
|
50a370c4a5
|
use memcpy instead of union to avoid pointer aliasing
|
2022-12-27 21:39:35 -05:00 |
|
|
|
9f15ad4795
|
simplify by using a custom constructor
|
2022-12-27 18:26:29 -05:00 |
|
|
|
246b25e2ed
|
silence compiler warning
|
2022-12-27 17:43:39 -05:00 |
|
|
|
c63f1647fb
|
work around pointer aliasing issue with JIT enabled
|
2022-12-27 17:43:31 -05:00 |
|
|
|
efc2e96a9e
|
explicitly share Lepton settings between lepton and colvars folders
|
2022-12-27 17:42:59 -05:00 |
|
|
|
2a3d1a1ba5
|
import JIT settings to colvars library makefile
|
2022-12-27 15:16:58 -05:00 |
|
|
|
4f4f7be9c8
|
must provide list of object for colvars lib
|
2022-12-27 14:04:54 -05:00 |
|
|
|
c68f754923
|
remove access to non-existing option
|
2022-12-27 13:59:56 -05:00 |
|
|
|
faa2a9ffeb
|
remove Lepton source from lib/colvars folder
|
2022-12-27 13:59:34 -05:00 |
|
|
|
7e984bfa2c
|
update traditional make build support for shaking Lepton between LEPTON and COLVARS
|
2022-12-27 11:16:09 -05:00 |
|
|
|
989ec1b859
|
remove lmp/LMP_ prefix from Lepton namespace and files to share it with colvars
|
2022-12-27 10:57:43 -05:00 |
|
|
|
7b3866d04c
|
move lepton utilities to lepton_utils namespace in LEPTON package
|
2022-12-24 00:08:03 -05:00 |
|
|
|
132a4cbc91
|
update traditional build for updated Lepton library and inclusion of asmjit
|
2022-12-23 12:13:10 -05:00 |
|
|
|
ae1dc7b52c
|
Backport https://github.com/kokkos/kokkos/pull/5624 to Kokkos version bundled with LAMMPS
|
2022-12-23 07:41:33 -07:00 |
|
|
|
e59f99b440
|
add support for JIT compilation
|
2022-12-22 22:50:01 -05:00 |
|
|
|
ca27fb3a98
|
update Lepton to current master branch
|
2022-12-22 22:47:45 -05:00 |
|
|
|
25df28292f
|
Update Kokkos library in LAMMPS to v3.7.1
|
2022-12-22 09:20:35 -07:00 |
|
|
|
33f3adf85c
|
Merge branch 'develop' of github.com:lammps/lammps into kk_occupancy
|
2022-12-22 09:18:24 -07:00 |
|
