Activity for Hex
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Jakub Benda committed [d6c3f2] on Code
Fix warnings some C++23-related warnings
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Use SVD for signal fitting
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Fix data type for max_compute_units
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Do not write mdips for closed channels
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Abort on excess OpenCL allocation
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Include all intermediate open channels
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Allow also below-threshold ionization in RHS mode
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Simple sanity check when reading driving solution
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Add partial wave phase factor
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Add coupling factor in mdip extraction
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Improve mdip output formatting
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Check for existence of RHS input file
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Enable swtiching SymBandMatrix to antisymmetric
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Also support length gauge in RHS mode
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Use least squares routine for fitting
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Fix reading of driving rhs II
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Fix reading of driving rhs
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More stack-friendly cmdline processing
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Add destructors to avoid KDevelop warning
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Implemented extraction of photo amplitudes
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Drive by dipole-coupled custom solution
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Merge branch 'bound-davidson'
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ECS: Request the desired OpenCL version
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Use override instead of virtual where appropriate
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Revert change to hex-rts.h
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Remove unfinished rhs decontraction
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Practical improvements to dipole output
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Prepare ground for uncontracted mode
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Fix evaluation of dipoles
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Drop trailing spaces from logo
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Fix batch evaluation of Coulomb function
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Avoid invalid memory access when finishing without setup
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Skip unavailable solutions in dipole extraction
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Use "nan" as projectile energy for bound states filenames
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Fix solution skip criterion
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Expicitly print units in extraction
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For convenience split distinct dipole contributions
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Normalize bound state
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Fixes in extraction of dipoles
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Automatic OpenCL device numbering in MPI mode
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Add core charge in a few places
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Remove redundant semicolon
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Add missing include
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Use lambdas instead of complex templates
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Fix projectile energy + updates in dipole extraction
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Implement extraction of direction dipole
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Add missing Coulomb phase
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Read atom core charge from input file
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Support non-zero net charge in more places
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Fix run with purely real knot sequence (for bound)
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Explicitly request OpenCL 3.0
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Use r-norm as residual in Davidson
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Enable calculation of two-electron bound state using Jacobi-Davidson
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ECS: Correct a CMake statement
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Merge branch 'master' of ssh://git.code.sf.net/p/hecs/code
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Utility hdf2txt prints available datasets
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Minor updates to CMake scripts
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ECS: Honour the CMake option DISABLE_PARALLEL_PRECONDITION
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Updated README with compatible software
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Avoid compiler warning "control reaches end of function"
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Remove legacy Makefiles and Code::Blocks project files
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Removed -funsafe-math-optimizations unknown to icc
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ECS: Renamed tests output log directory to "logs"
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Remove legacy Makefiles
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PECS: Add missing include
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Initial support for CMake build system
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Removed trailing spaces
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ECS: Changed names of channel VTKs to allow reading them as series into ParaView.
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Fix compilation with GCC 9.
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ECS: Backup work on arrowhead decomposition.
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ECS: Update comment in Makefile.
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Small updates to CooMatrix.
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Fixed local declaration in CsrMatrix.
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ECS: Less warnings when extracting amplitudes.
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ECS: Display hostname and execution time in output of the program.
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Merge branch 'master' of ssh://git.code.sf.net/p/hecs/code
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Removed unused MPI-related functions.
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Merge branch 'master' of ssh://git.code.sf.net/p/hecs/code
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ECS: Calculate also one-electron eigenstates for final states.
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ECS: Corrected purge condition.
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ECS: Autostop & purge
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ECS: Fixed write in --runtime-postprocess / --write-intermediate-solutions.
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ECS: GPU tests.
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ECS: Distinguish read-only and read-write OpenCL buffers.
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ECS: Optimizations of GPU kernels.
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ECS: Optimizations of GPU preconditioner kernels.
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ECS: GPU preconditioner in lightweight-simple mode now calculates the matrix block at OCL device (and not at CPU as before).
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ECS: Corrections to GPU preconditioner, removed --cl-host-multiply.
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ECS: Optimized MPI & GPU & host-multiply combination.
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Merge branch 'master' of ssh://git.code.sf.net/p/hecs/code
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ECS: Honour --lightweight-simple in GPU mode.
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Updates in preconditioning test cases.
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Lecture examples update.
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ECS: Updated xxd-ed OpenCL kernels.
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Backup of lecture test cases.
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ECS: Removed unused LU factors of S.
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ECS: Fix single-precision version of LUft_UMFPACK::get().
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ECS: Simplified KPA preconditioning.
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ECS: Optimization of sparse matrix multiplication.
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Backup: Test cases for a preconditining lecture.
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