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6f0216af75
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ILAENV function does not use IPARAM2STAGE anymore
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2022-12-28 12:17:19 -05:00 |
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67156420d4
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avoid out-of-range read
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2022-12-28 00:19:59 -05:00 |
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50a370c4a5
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use memcpy instead of union to avoid pointer aliasing
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2022-12-27 21:39:35 -05:00 |
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9f15ad4795
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simplify by using a custom constructor
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2022-12-27 18:26:29 -05:00 |
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246b25e2ed
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silence compiler warning
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2022-12-27 17:43:39 -05:00 |
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c63f1647fb
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work around pointer aliasing issue with JIT enabled
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2022-12-27 17:43:31 -05:00 |
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efc2e96a9e
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explicitly share Lepton settings between lepton and colvars folders
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2022-12-27 17:42:59 -05:00 |
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2a3d1a1ba5
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import JIT settings to colvars library makefile
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2022-12-27 15:16:58 -05:00 |
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4f4f7be9c8
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must provide list of object for colvars lib
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2022-12-27 14:04:54 -05:00 |
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c68f754923
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remove access to non-existing option
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2022-12-27 13:59:56 -05:00 |
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faa2a9ffeb
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remove Lepton source from lib/colvars folder
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2022-12-27 13:59:34 -05:00 |
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7e984bfa2c
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update traditional make build support for shaking Lepton between LEPTON and COLVARS
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2022-12-27 11:16:09 -05:00 |
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989ec1b859
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remove lmp/LMP_ prefix from Lepton namespace and files to share it with colvars
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2022-12-27 10:57:43 -05:00 |
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7b3866d04c
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move lepton utilities to lepton_utils namespace in LEPTON package
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2022-12-24 00:08:03 -05:00 |
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132a4cbc91
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update traditional build for updated Lepton library and inclusion of asmjit
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2022-12-23 12:13:10 -05:00 |
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ae1dc7b52c
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Backport https://github.com/kokkos/kokkos/pull/5624 to Kokkos version bundled with LAMMPS
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2022-12-23 07:41:33 -07:00 |
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e59f99b440
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add support for JIT compilation
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2022-12-22 22:50:01 -05:00 |
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ca27fb3a98
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update Lepton to current master branch
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2022-12-22 22:47:45 -05:00 |
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25df28292f
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Update Kokkos library in LAMMPS to v3.7.1
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2022-12-22 09:20:35 -07:00 |
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33f3adf85c
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Merge branch 'develop' of github.com:lammps/lammps into kk_occupancy
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2022-12-22 09:18:24 -07:00 |
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2865929558
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update for added source
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2022-12-22 07:11:04 -05:00 |
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4cbe8b353b
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move shared functionality to utility function added to Lepton library
|
2022-12-22 05:37:59 -05:00 |
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4293771ae8
|
silence compiler warnings
|
2022-12-21 21:53:25 -05:00 |
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e2f9d59484
|
whitespace fixes
|
2022-12-21 21:34:56 -05:00 |
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c44e87d87a
|
avoid name conflict with COLVARS package
|
2022-12-21 18:28:04 -05:00 |
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517a2e5e26
|
import Lepton library with namespace and header changed to LMP_Lepton
|
2022-12-21 14:18:39 -05:00 |
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8af77c690c
|
Merge branch 'develop' into amoeba-gpu
|
2022-12-14 13:16:41 -06:00 |
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e1d31a5633
|
Merge branch 'develop' into pod-updates
|
2022-11-30 13:47:40 -05:00 |
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9b7b45bdea
|
update lib/linalg README
|
2022-11-29 17:27:07 -05:00 |
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e7d72040e1
|
update BLAS/LAPACK to version 3.11.0 from 22 Nov 2022
|
2022-11-27 18:06:01 -05:00 |
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c366441c15
|
add DPOTSV and DPOTRS LAPACK functions
|
2022-11-27 18:05:54 -05:00 |
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|
d3bb55fa4f
|
update BLAS/LAPACK to version 3.11.0 from 22 Nov 2022
|
2022-11-27 17:24:05 -05:00 |
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5205e208a0
|
add DPOTSV and DPOTRS LAPACK functions
|
2022-11-27 17:18:23 -05:00 |
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|
a21a09f6d3
|
Backport https://github.com/kokkos/kokkos/pull/5624 to Kokkos version bundled with LAMMPS
|
2022-11-21 14:57:55 -07:00 |
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d75bf01b2d
|
create Makefile for ML-POD
|
2022-11-20 14:13:51 -05:00 |
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959b9c220f
|
Cleaned up unused member functions and hd_balancer calls
|
2022-11-07 15:49:37 -06:00 |
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a3cc0e8432
|
Reverted the block size tuning, which caused bugs for low atom counts (will revisit later)
|
2022-11-04 13:45:59 -05:00 |
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2f1f7ee0fa
|
Cleaned up code
|
2022-11-03 23:45:40 -05:00 |
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e5a808fb8d
|
apply correct platform selection for OpenCL context
|
2022-11-01 04:05:57 -04:00 |
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80a141d9c8
|
silence compiler warnings
|
2022-11-01 03:38:08 -04:00 |
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ca091b2e75
|
update ELECTRODE package instructions for traditional make. fix plural/singular.
|
2022-10-27 16:23:55 -04:00 |
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248b7383c7
|
Merge remote-tracking branch 'github/develop' into collected-small-changes
# Conflicts:
# src/DIPOLE/pair_lj_cut_dipole_long.h
# src/OPENMP/fix_nvt_sllod_omp.h
# src/PHONON/fix_phonon.h
# src/SPIN/pair_spin_dipole_cut.h
# src/SPIN/pair_spin_dipole_long.h
# src/STUBS/mpi.h
# src/UEF/fix_nh_uef.h
# src/fix_nvt_sllod.h
# tools/coding_standard/homepage.py
|
2022-10-24 15:50:50 -04:00 |
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|
2132b1d904
|
update developer reference text
|
2022-10-24 11:08:26 -04:00 |
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|
ef83f78e1e
|
add md5sums for plumed 2.7.5 and 2.8.1, update default version to 2.8.1
|
2022-10-21 09:28:15 -04:00 |
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cccf3f6f78
|
change email for contacting LAMMPS developers, add to homepage checker
|
2022-10-20 20:36:03 -04:00 |
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|
ad54268544
|
silence compiler warning
|
2022-10-19 14:31:21 -04:00 |
|
|
|
9d081a5916
|
more adjustments for bogus timer results on Intel OpenCL
|
2022-10-19 07:39:56 -04:00 |
|
|
|
f867adc541
|
GPU Package fix where timing disable could result in event/marker destruction before completion on accelerator during initialization.
|
2022-10-19 02:16:29 -04:00 |
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|
|
51c6eddd0d
|
Fix to make the property list empty for command queues when timing disabled.
|
2022-10-19 02:15:39 -04:00 |
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|
|
fc8d9207c6
|
update Makefile.lammps, too.
|
2022-10-17 12:22:28 -04:00 |
|
