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194a42b7a5
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use more reasonable install prefix when compiling natively on Windows
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2021-09-07 15:05:17 -04:00 |
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68c842ca84
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workaround for MSVC insanity
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2021-09-07 00:59:51 -04:00 |
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6b243845c0
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update HIP preset for CMake
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2021-08-31 15:11:37 -04:00 |
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84896fc7d4
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add building micelle2d.x
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2021-08-26 06:36:27 -04:00 |
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c7357d5731
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Merge remote-tracking branch 'github/master' into collected-small-changes
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2021-08-26 05:30:50 -04:00 |
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fe4ec9d1ea
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select Fortran 2003 as standard for compiling bundled Fortran code
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2021-08-25 23:36:12 -04:00 |
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4846d8283e
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convert chain.f to fortran 90+ style free format file chain.f90
this is to maintain compatibility with some newer fortran compilers
that do not support legacy style fortran by default anymore.
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2021-08-25 18:38:08 -04:00 |
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25d9d5dfff
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Merge pull request #2895 from rbberger/python_coverage_fix
Use .coveragerc to configure Python coverage reporting
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2021-08-24 14:07:23 -04:00 |
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a26da031aa
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Use .coveragerc to configure Python coverage reporting
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2021-08-24 11:27:30 -04:00 |
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d44edeb32e
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make clang-format custom targets in CMake similar to the ones in GNU make
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2021-08-23 18:36:44 -04:00 |
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30821b37e5
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replace tabs
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2021-08-22 20:43:27 -04:00 |
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62564b0a5c
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cmake: only use LMP_KOKKOS define in build interface
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2021-08-17 15:52:09 -06:00 |
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d321202908
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Add change from @junghans
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2021-08-17 10:27:50 -06:00 |
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9fa255b3ff
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Fix issue when building Kokkos with CMake
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2021-08-17 10:09:39 -06:00 |
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f23b04f9b6
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update Eigen3 to support the latest stable release 3.3.9
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2021-08-07 10:09:06 -04:00 |
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88604328f5
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workaround for PGI compilers
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2021-08-07 10:09:06 -04:00 |
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e29bd3d157
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update defines from -DLMP_USER-<PKG> to -DLMP_<PKG> for consistency
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2021-08-06 14:07:43 -04:00 |
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fe34fe26b2
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add a hard dependency on EXTRA-PAIR to the DIELECTRIC package
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2021-07-27 18:21:08 -04:00 |
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2d488bab6b
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Merge branch 'master' into collected-small-changes
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2021-07-27 11:15:00 -04:00 |
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f39c5178d8
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update plumed to version 2.7.2 and drop workaround for 2.7.1
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2021-07-27 09:56:52 -04:00 |
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16fae72670
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small tweak for MinGW-64 compilation on Fedora 34
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2021-07-27 08:44:59 -04:00 |
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1ebd60e35e
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update and add explanation
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2021-07-25 10:56:38 -04:00 |
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57270c5339
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set flag to tell CMake to not use/link the MPI C++ interface in the correct place
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2021-07-24 13:46:13 -04:00 |
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852f18525d
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complete moving packages and styles around
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2021-07-23 18:11:25 -04:00 |
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d2684a2370
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Merge branch 'master' into package-reorganization2
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2021-07-23 07:41:10 -04:00 |
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f8f4af471f
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general rename of files, styles, and keywords from "reax/c", "reax", or "reaxc" to "reaxff"
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2021-07-21 21:52:25 -04:00 |
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d16f751413
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Merge branch 'master' into package-reorganization2
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2021-07-21 10:23:04 -04:00 |
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600b0d34ca
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disable install command for build libquip.a (not needed)
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2021-07-20 19:31:04 -04:00 |
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d8ca3e4b16
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add support for automatically downloading and building libquip
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2021-07-20 16:00:42 -04:00 |
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52156ccb35
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Merge branch 'master' into package-reorganization2
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2021-07-19 11:07:42 -04:00 |
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d97ea4ebf6
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make dependency of CG-DNA on ASPHERE and MOLECULE a hard dependency
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2021-07-15 15:42:50 -04:00 |
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5af74edcc0
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Merge pull request #2815 from stanmoore1/kk_hash
Add atom_map hash option for Kokkos package
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2021-07-14 14:20:11 -04:00 |
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0540ce547b
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Merge branch 'master' into package-reorganization2
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2021-07-12 11:45:27 -04:00 |
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998b76520e
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Merge pull request #2830 from akohlmey/opencl-loader-3.0.8
Update OpenCL ICD loader and headers to latest spec 3.0.8
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2021-07-12 11:44:34 -04:00 |
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41a434ae1f
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fix compilation issues with new/old Intel compilers
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2021-07-11 14:09:17 -04:00 |
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ac903ec291
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update list of non-style KOKKOS package sources with newly added file
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2021-07-10 10:55:07 -04:00 |
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8323b402fb
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update OpenCL ICD loader and headers to latest spec (3.0.8) from 2021-06-30
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2021-07-08 14:49:54 -04:00 |
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ab11482d7e
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add INTERLAYER package to CMake list of known packages
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2021-07-08 09:30:18 -04:00 |
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46d5d9724a
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move interlayer potentials to their own package
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2021-07-07 15:52:53 -04:00 |
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58196d57f1
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New package DPD-BASIC with pair styles dpd, dpd/tstat, dpd/ext, dpd/ext/tstat
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2021-07-01 00:51:55 -04:00 |
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88c8d1a3c6
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rename "minimal" preset to "basic"
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2021-06-30 20:39:17 -04:00 |
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d47f2aca53
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recover compilation with CMake
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2021-06-29 22:18:27 -04:00 |
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878795e64a
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bulk rename of remaining USER- packages
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2021-06-29 20:12:59 -04:00 |
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2d4bb8f38c
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rename USER-MESODPD and USER-SDPD to DPD-MESO and DPD-SMOOTH
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2021-06-29 19:45:38 -04:00 |
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8e185a1a12
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rename USER-DPD to DPD-REACT
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2021-06-29 19:41:23 -04:00 |
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6ceedb62be
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rename USER-REAXC to REAXFF
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2021-06-29 19:37:55 -04:00 |
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1dc25b0e10
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rename USER-OMP to OPENMP
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2021-06-29 17:48:22 -04:00 |
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c085e55695
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rename USER-SMD package to MACHDYN
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2021-06-29 17:19:39 -04:00 |
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8bf6805e1d
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rename USER-LB to LATBOLTZ
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2021-06-29 17:07:14 -04:00 |
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dc3efd17d2
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rename USER-MEAMC to MEAM and pair style meam/c to meam (keeping meam/c as an alias)
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2021-06-29 16:59:05 -04:00 |
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