cb00839357
Merge branch 'develop' into plumed-plugin
2024-07-30 20:30:21 -04:00
a54e67bf1c
Merge pull request #4242 from akohlmey/collected-small-fixes
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Collected small fixes and updates for LAMMPS and LAMMPS-GUI
2024-07-30 20:04:19 -04:00
3c6adde66b
replace atoi()/atof() with std::stoX()
2024-07-30 16:25:39 -04:00
7b2c7e0df8
new code owner
2024-07-30 16:17:24 -04:00
5016a0848f
make compatible with per-type and per-atom masses
2024-07-30 16:16:05 -04:00
1254d579f7
reduce compiler warnings, remove dead code, follow LAMMPS conventions more closely
2024-07-30 16:13:06 -04:00
701280a648
lower GSL version requirement for compatibility with more (Linux) systems
2024-07-30 15:20:48 -04:00
b6834f33c0
modernize, more selective argument checking, better error messages
2024-07-30 14:21:56 -04:00
75b09ed143
discuss in more detail MPI support in PyLammps. Some small improvements in MPI support
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MPI related changes are:
- Raise exception in PyLammps.eval() if called from MPI rank
- Print (some) informational and warning messages only from MPI rank 0
2024-07-30 11:27:31 -04:00
a5a0620dca
When KOKKOS has been compiled with GPU support the GPU *must* be used
2024-07-30 10:35:15 -04:00
bd2e071ef0
clarify that hybrid styles also do not write coeff data to data files
2024-07-30 08:59:51 -04:00
208216ba3d
Merge branch 'kokkos-amd-gfx1103-support' into collected-small-fixes
2024-07-30 08:46:22 -04:00
cb6e71b72f
fix typo
2024-07-30 08:46:01 -04:00
1c40cd1c22
avoid segfault
2024-07-30 08:45:01 -04:00
0ea45d89d9
clarify that all hybrid styles do not write Coeff sections
2024-07-30 05:45:24 -04:00
620af2599b
use std::stoX() functions
2024-07-30 03:57:23 -04:00
92cbbaab6a
no longer used
2024-07-30 03:54:47 -04:00
a75862088a
replace atof() with std::stod()
2024-07-30 03:43:26 -04:00
f0e9d0c96d
update comment
2024-07-30 03:39:03 -04:00
5082d15844
use std::stoXX() functions and check for incomplete conversions and exceptions
2024-07-30 03:38:53 -04:00
d2b12372f1
not used anymore
2024-07-30 01:31:56 -04:00
9aadb16c06
not used anymore
2024-07-30 01:31:38 -04:00
1035dcf735
get rid of ATOBIGINT
2024-07-30 01:18:22 -04:00
95513838da
fix typo
2024-07-30 00:54:12 -04:00
361b8c25c4
use c++11 function to convert strings to numbers
2024-07-30 00:34:12 -04:00
d5e57ac02d
reimplement using C++11
2024-07-30 00:33:44 -04:00
60d118a41a
update to current list of compression tools
2024-07-29 20:13:27 -04:00
1d5aa19e4f
document on-the-fly decompression for file viewer
2024-07-29 20:13:09 -04:00
f3c1697b10
support reading compressed files, same as LAMMPS itself.
2024-07-29 20:01:06 -04:00
9af53e3af8
portability
2024-07-29 20:00:30 -04:00
afcf00c399
update
2024-07-29 19:59:36 -04:00
6eb3679468
add commented out commands for visualization with LAMMPS-GUI
2024-07-29 19:59:22 -04:00
e1f17cec7d
update list of supported devices
2024-07-29 17:11:51 -04:00
41254b26c7
backward compatibility not needed
2024-07-29 17:01:34 -04:00
2f2412bd95
correctly use versionchanged command
2024-07-29 15:24:05 -04:00
6bb89f6a14
Merge branch 'develop' into collected-small-fixes
2024-07-29 15:17:55 -04:00
04f7aaca26
Merge pull request #4243 from jtclemm/sph-update
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Cleaning up and fixing bug in SPH package
2024-07-29 15:16:48 -04:00
a00b396159
re-enabled unit test
2024-07-29 15:12:16 -04:00
dc7768105a
Merge remote-tracking branch 'github/fix_issues' into collected-small-fixes
2024-07-29 15:10:39 -04:00
36bec29736
Revert "temporarily remove non-compiling KOKKOS sources"
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This reverts commit 4a2901bd5e
2024-07-29 15:08:52 -04:00
490f3e6890
fix compilation
2024-07-29 15:07:51 -04:00
ddf6dd50cf
Merge pull request #4224 from lab-cosmo/bugfix/parallel-ipi
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Bugfix/parallel ipi
2024-07-29 15:06:49 -04:00
9c937113fd
use strtoll() and strtod() instead of atoi(), atol(), atoll() and atof()
2024-07-29 14:45:43 -04:00
d84b12ea63
define EPSILON consistently as static constexp
2024-07-29 11:57:46 -04:00
eeaa1eadeb
add test for value tokenizer to check limits
2024-07-29 11:57:09 -04:00
abb19890f9
Fix another compiler warning
2024-07-29 11:46:22 -04:00
b773c12284
Tweak comment
2024-07-29 11:46:11 -04:00
d81bf66fe1
Fix issues with new KOKKOS hybrid topo styles
2024-07-29 09:29:40 -06:00
a4ad184d37
Fix Makefile build for UF3 with KOKKOS
2024-07-29 09:29:11 -06:00
2ff43fc8bd
Fix compile issue
2024-07-29 09:27:28 -06:00
