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Commits
: Listings
Analyzed
12 months
ago. based on code collected
12 months
ago.
Jan 18, 2023 — Jan 18, 2024
Showing page 9 of 19
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unifying SCFOperator api
fbischoff
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over 1 year ago
Q2 orthonormalization in vmra.h
fbischoff
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over 1 year ago
Merge remote-tracking branch 'origin/tutorial' into tutorial
fbischoff
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over 1 year ago
starting api tutorials
fbischoff
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over 1 year ago
cleanup
Robert J. Harrison
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over 1 year ago
Merge pull request #474 from m-a-d-n-e-s-s/pr-cleanup
fbischoff
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over 1 year ago
cleaning up output for geometry optimization
fbischoff
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over 1 year ago
updates
Robert J. Harrison
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over 1 year ago
comment out detritus
Robert J. Harrison
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over 1 year ago
Merge pull request #473 from m-a-d-n-e-s-s/pr-usability
fbischoff
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over 1 year ago
unified --help and --print_parameters options for all applications, some pretty-printing
fbischoff
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over 1 year ago
Update INSTALL.md
Robert J. Harrison
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over 1 year ago
Update tutorial.md
Robert J. Harrison
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over 1 year ago
Update tutorial.md
Robert J. Harrison
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over 1 year ago
Update tutorial.md
Robert J. Harrison
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over 1 year ago
Update tutorial.md
Robert J. Harrison
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over 1 year ago
Update tutorial.md
Robert J. Harrison
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over 1 year ago
Update to latest PaRSEC master so TTG and MADNESS point to the same version -- should have no impact on MADNESS over PaRSEC
Thomas Herault
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over 1 year ago
Merge pull request #471 from m-a-d-n-e-s-s/evaleev/fix/hashing-std-pair
Eduard Valeyev
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over 1 year ago
fixup hashing of std::pair
Eduard Valeyev
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over 1 year ago
Fix parsec profiling, only keep the status that a MADNESS task is on the stack if MADNESS_ASSERTIONS are enabled. Free allocated memory for PaRSEC profiling the MADNESS comm thread at ParsecRuntime deletion time.
Thomas Herault
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over 1 year ago
Merge pull request #470 from m-a-d-n-e-s-s/evaleev/fix/template-class-static-vars-as-inline
Eduard Valeyev
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over 1 year ago
remove all uses+mentions of WORLD_INSTANTIATE_STATIC_TEMPLATES
Eduard Valeyev
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over 1 year ago
exclude SCFOperators.cc from unity builds
Eduard Valeyev
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over 1 year ago
make template class static member variables inline, this should resolve duplicate definition fiasco by making them external linkage
Eduard Valeyev
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over 1 year ago
Merge pull request #469 from m-a-d-n-e-s-s/evaleev/feature/serialize-optional
Eduard Valeyev
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over 1 year ago
update documentation
fbischoff
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over 1 year ago
fixed helium_exact
fbischoff
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over 1 year ago
introducing madchem.h in the top-level include directory
fbischoff
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over 1 year ago
fixed previous commit for forwarding gentensor use to dependent projects
fbischoff
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over 1 year ago
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