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ce5030053457d3eff5e50e4fbad1e5ee5a309726
lammps/cmake/Modules
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Matt Bettencourt ce50300534 Created a Kokkos version of the ML-IAP routines. Completed one model and 
one descriptor along with the pair style and data member.  To test the stack
one can run

lmp -k on g 1 -sf kk -pk kokkos neigh full newton on -in in.mliap.so3.Ni_Mo -echo both

and compare it to the non-kokkos results.
Results are identical for cuda/openmp/serial and non-kokkos
2022-10-21 09:45:18 +02:00
..
Packages
Created a Kokkos version of the ML-IAP routines. Completed one model and
2022-10-21 09:45:18 +02:00
CheckGeneratorSupport.cmake
CheckIfNinjaSupportsFortran.cmake -> CheckGeneratorSupport.cmake
2020-03-15 13:45:47 -06:00
CodeCoverage.cmake
Use .coveragerc to configure Python coverage reporting
2021-08-24 11:27:30 -04:00
CodingStandard.cmake
add tool to fix LAMMPS homepage URLs
2021-05-23 19:49:32 -04:00
Documentation.cmake
align with doc folder makefile
2022-04-21 12:02:05 -04:00
ExternalCMakeProject.cmake
whitespace
2021-11-03 15:23:29 -04:00
FindClangFormat.cmake
Add format-tests target
2020-06-15 11:21:43 -04:00
FindCUB.cmake
Add HIP_USE_DEVICE_SORT CMake option
2020-04-10 18:22:43 -04:00
FindCythonize.cmake
make searching for python interpreter and development version futureproof and more consistent
2022-02-10 14:41:25 -05:00
FindFFTW3.cmake
replace tabs
2021-08-22 20:43:27 -04:00
FindFFTW3F.cmake
replace tabs
2021-08-22 20:43:27 -04:00
FindMKL.cmake
USER-INTEL.cmake: clean up, create imported targets
2020-04-03 09:50:28 -06:00
FindMSCG.cmake
MSCG.cmake: create an use imported target
2020-03-24 11:42:36 -06:00
FindN2P2.cmake
rename USER-HDNNP to ML-HDNNP
2021-06-29 15:38:45 -04:00
FindNetCDF.cmake
FindNetCDF.cmake: fix target
2020-03-24 14:29:14 -06:00
FindPNetCDF.cmake
USER-NETCDF.cmake: create and use imported targets
2020-03-24 12:33:36 -06:00
FindQUIP.cmake
USER-QUIP.cmake: create and use imported target
2020-03-24 12:23:39 -06:00
FindTBB_MALLOC.cmake
consolidate setting CMake policy CMP0074 into main cmake file
2020-05-19 15:20:41 -04:00
FindVORO.cmake
VORONOI.cmake: use VORO imported target
2020-03-24 11:05:25 -06:00
FindYAML.cmake
add unit test framework for pair, bond, angle styles from progguide branch
2020-05-19 22:24:31 -04:00
FindZMQ.cmake
cmake: fix up MESSAGE.cmake
2020-03-25 18:10:52 -06:00
generate_lmpgitversion.cmake
Better handle file- or path-names with spaces
2022-05-28 04:55:10 -04:00
GenerateBinaryHeader.cmake
Simplify GenerateBinaryHeader utility
2020-09-20 18:24:43 -04:00
GenerateOpenCLHeader.cmake
Update comment
2021-04-30 17:09:48 -04:00
LAMMPSInterfacePlugin.cmake
add crosscompiling with MPI support to plugins package
2022-06-24 06:51:29 -04:00
LAMMPSUtils.cmake
make procedure to replace downloaded potential file atomic
2022-09-02 13:00:29 -04:00
MPI4WIN.cmake
Update cmake/Modules/MPI4WIN.cmake
2021-04-05 14:43:05 -04:00
OpenCLLoader.cmake
Undo change that forces BUILD_SHARED_LIBS=off
2022-02-15 14:53:18 -05:00
OpenCLUtils.cmake
CMake: Rebuild OpenCL kernel headers when code changes
2021-04-30 17:04:12 -04:00
PreventInSourceBuilds.cmake
make formatting of if statements and string comparisons consistent
2021-05-25 15:06:08 -04:00
StyleHeaderUtils.cmake
don't print a message for each generated style/package header file
2020-10-12 17:10:38 -04:00
Testing.cmake
make formatting of if statements and string comparisons consistent
2021-05-25 15:06:08 -04:00
Tools.cmake
add simple STL binary to ASCII converter (based on Wikipedia specs)
2022-05-07 16:26:25 -04:00