0.6.0 Release PR #29
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0.6.0 Release PR #29
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Optimized overlap matrix construction in PGS. ctests passed. Approved-by: Phani Motamarri <phanim@umich.edu>
…ation. ctests passed.
Inmproved cache reuse in overlap matrix construction and subspace rotation. ctests passed.
Optimized XtHX and added more code comments. ctests passed. Approved-by: Phani Motamarri <phanim@umich.edu>
…mory by storing as STL vector wherever required. This helps reducing memory and improve scalability
Conflicts: include/linearAlgebraOperationsInternal.h src/linAlg/linearAlgebraOperationsInternal.cc
Minor memory alignment improvement. ctests passed Approved-by: Phani Motamarri <phanim@umich.edu>
ScalingOpt Approved-by: Sambit Das <dsambit@umich.edu>
Broyden mixing added Approved-by: Sambit Das <dsambit@umich.edu> Approved-by: Phani Motamarri <phanim@umich.edu>
one ctest input changed Approved-by: Phani Motamarri <phanim@umich.edu>
one more ctest input parameter changed. Approved-by: Sambit Das <dsambit@umich.edu>
…ck size. ctests passed.
MixedPrecOverlapMatrix Approved-by: Phani Motamarri <phanim@umich.edu>
…nual also made. ctests passed.
Changed CMakeLists exectuable to dftfe. Appropriate changes in the manual also made. ctests passed. Approved-by: Phani Motamarri <phanim@umich.edu>
add debug/release build type and install target Approved-by: Sambit Das <dsambit@umich.edu>
…ed relevant ctest. ctests passed.
Implemented option to use mixed precision in chebyshev filtering. Added relevant ctest. ctests passed. Approved-by: Phani Motamarri <phanim@umich.edu>
…lopers/dftfe into adaptiveFilterTuning Conflicts: src/solvers/eigenSolvers/chebyshevOrthogonalizedSubspaceIterationSolver.cc
AdaptiveFilterTuning Approved-by: Phani Motamarri <phanim@umich.edu>
phanimotamarri
approved these changes
Sep 26, 2018
vikramgavini
approved these changes
Sep 26, 2018
… was dftFE which had a case conflict with TARGET name dftfe. This worked with intel compiler but compilation fails for gcc compilation
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