FreeEOS Activity
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Activity for FreeEOS
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Alan W. Irwin committed [23c51a] on Code
Replace the traditional Fortran 77 code in the BFGS implementation for the free_eos library with modern Fortran best practice
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Use fixed scaling for the chirho figures associated with the convergence paper
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Implement the check_computational_boundary_test target
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Update free_eos_test to make better use of the returned info argument
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Change partial_aux size from naux to n_partial_aux in all routines other than free_eos_detailed
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Use Fortran preprocessor directives to implement fermi_dirac_integrator and fermi_dirac_integrator_1 from the same source code
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Extend release figures project to all release figures that can be straightforwardly generated with modern methods
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No longer exclude files in the release_figures subdirectory from the search and removal of trailing whitespace
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For increased flexibility make zplot allocatable in free_eos_grid_main.f90
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FreeEOS-3.0.0 has been released
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Implement the first stage of the automated release figures development
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Build system: support versioning of installed free_eos package
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Prepare for the next (likely 3.1.0) release cycle by reducing README.release to a template
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Tweak README.Release_Manager_Cookbook
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Write announcement (in SF-compatible markdown format) for 3.0.0
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FreeEOS-3.0.0 has been released
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FreeEOS released /freeeos/3.0.0 Source/README.release
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Add recent commits to ChangeLog.release for the forthcoming 3.0.0 release
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scripts/remove_trailing_whitespace.sh: additionally exclude doxygen-generated files in the source tree
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Remove trailing whitespace introduced by accident by recent commits
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Build system: fix recently introduced install target bug
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Update ChangeLog.release from 2.2.1 version to the 3.0.0 version
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Renamed ChangeLog to ChangeLog.release
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Tweak README.Release_Manager_Cookbook
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Prepare top-level INSTALL and README.* files for the forthcoming 3.0.0 release
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Build system: Implement the PREBUILD_DIST option
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Build system: almost complete revision of CPACK_SOURCE_IGNORE_FILES
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Extra notes for commit 7bff2e0:
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Extra notes for commit 34535f0:
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Extra notes for commit a9c2b6a:
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Extra notes for commit 8b559b83c:
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Fix one of the remaining two uninitialized issues discovered with nagfor -C=undefined
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Fix the final uninitialized issue discovered with nagfor -C=undefined
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Solve *_dv array initialization issues that have been discovered with nagfor -C=undefined
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Solve all eos_calc initialization issues that have been discovered with nagfor -C=undefined
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Update Copyright information to 2022 for all files whose previous Copyright was 2020 or 2021
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Implement the easiest fixes for uninitialized issues found by the nagfor -C=undefined option
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Fix most nagfor 7.1 compiler warnings
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Improve/rationalize formatting of stdout messages from all "simple_test" target utilities
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Doxygen documentation: Finish summary documentation for module procedures
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Doxygen documentation: expand use of \param[DIR] construct (where DIR is one of in, out, or in,out) to all procedures that currently have their arguments documented with doxygen
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Doxygen documentation: Implement that documentation for eos_jacobian and update that implementation for eos_warm_step
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Correct intent of pr variable in subroutines.
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Remove workaround for ifort spread function bug
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Best practices: replace intent(inout) allow_log and allow_log_neg by intent(in) and intent(out) variables
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Doxygen documentation: Implement that documentation for eos_warm_step
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doxygen documentation: replace "@param" with "\param" for consistent style in doxygen comments
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Doxygen documentation: Implement that documentation for eos_cold_start, finish that implementation for eos_warm_step, and make the variable naming scheme for derivatives more consistent
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Doxygen documentation: fix build-system dependency bug
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Implement verbosity control
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Implement documentation of the legacy and modern API's for free_eos in the README file
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Replace "read(*", "write(*...", "write(0...", and flush(0..." with "read(stdin...", write(stdout...", "write(stderr...", and flush(stderr..."
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Doxygen documentation: complete the mod_eos_calc documentation
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doxygen documentation: work around two doxygen issues for modern Fortran
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doxygen documentation: mv doc to document_FreeEOS/doxygen and implement PDF form of doxygen documentation
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Change from Fortran "include" to preprocessor "#include"
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Use conditional compilation to make code compatible with both ifort and gfortran
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Bump CMake minimum version from 3.13.4 to 3.18.4
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Generalize the free_eos_grid utility
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Replace every x**(a+1/2) where a is an integer >=1 by x**a*sqrt(x) for faster computation
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Replace in-line log(10._fp_kind) calculations with the ln10 = log(10._fp_kind) parameter
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Use common configurable LaTeX preamble for each of the documentation papers
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Revert text content of all automatically generated papers to that used for the current SF documentation papers
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eff_fit documentation paper: Finalize modern figures
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I have adopted 3.0.0 as the forthcoming release version
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Bump SOVERSION for all libraries from 0 to 1
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Update free_eos_test.stdout_standard to be consistent with the eos_calc rewrite of the previous commit
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Build system: generate a FATAL_ERROR if supported_fp_precision LESS 15 or supported_fp_exponent LESS 300
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Fix size of explicit-shape dimension in mod_bfgs.f90
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Perform substantial rewrite of eos_calc
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Add another error return to free_eos_detailed for the case where a NaN value of fl is detected during the cold start iteration
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Implement configurable version of programmed tainting of arrays
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No file changes, but correct an incorrect comment in the tested-by section of the previous commit (8de9bad) message
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Fix remaining extended precision issues exposed by the FreeEOS_papers target
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Replace the recursive version of fermi_dirac_integrator with a non-recursive alternative
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Implement separate calculation boundaries for compare_free_eos_test.py(.in)
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Replace implicit by explicit conversions between fp_kind and lapack_fp_kind and vice versa
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Help to purify fp_kind results by replacing some known explicit double precision with fp_kind precision
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Transform all floating-point constants to _fp_kind or (where appropriate) _lapack_fp_kind form
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Fix implicit type conversion issues found by gfortran -Wconversion-extra option
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Fix trailing whitespace issues with prior commits
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Fix uninitialized issue found recently by newly implemented signalling NaN tainting of allocated arrays
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Update free_eos_test.stdout_standard to latest version of results
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Switch from huge(0._fp_kind) tainting to signalling NaN tainting of allocated real arrays
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Add FREE_EOS_VERSION to summary
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Initial commit of the combined documentation paper from its latest (but quite old) version
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Update the directions for the tutorial self-contained "test_FreeEOS_install" project.
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Configure the build of the old combined documentation paper
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Update isotopic masses to AME2020
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Update basic infrastructure of the CMake-based build system for FreeEOS
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Remove trailing whitespace for two new documentation files
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Use doxygen to document the modern and legacy variants of the free_eos generic API
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Update build, install, test, and user application link instructions
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Move the utils subdirectory from the top-level directory to test_FreeEOS
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Additional changes that I forgot to make part of the prior commit
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Fix error in the formula for the radii of the Rydberg levels of H_2^+
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Drop unnecessary "save pf" in free_eos_detailed
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Improve commentary and change a variable name in mdh_pi.f90
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