BoothGroup / ebcc

Coupled cluster models for both purely electron and coupled electron-boson models, with a focus on generality and model extensibility.
https://boothgroup.github.io/ebcc/
MIT License
11 stars 2 forks source link

Single- and mixed-precision support #35

Closed obackhouse closed 10 months ago

obackhouse commented 10 months ago

Adds support to change the floating point type used internally, to support single- and mixed-precision calculations. See this paper for why.

codecov[bot] commented 10 months ago

Codecov Report

All modified and coverable lines are covered by tests :white_check_mark:

Comparison is base (4370b02) 98.76% compared to head (0041995) 98.75%.

Additional details and impacted files ```diff @@ Coverage Diff @@ ## master #35 +/- ## ========================================== - Coverage 98.76% 98.75% -0.01% ========================================== Files 71 72 +1 Lines 98334 98422 +88 Branches 842 846 +4 ========================================== + Hits 97119 97197 +78 - Misses 1080 1090 +10 Partials 135 135 ``` | [Files](https://app.codecov.io/gh/BoothGroup/ebcc/pull/35?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=BoothGroup) | Coverage Δ | | |---|---|---| | [ebcc/brueckner.py](https://app.codecov.io/gh/BoothGroup/ebcc/pull/35?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=BoothGroup#diff-ZWJjYy9icnVlY2tuZXIucHk=) | `90.80% <100.00%> (+0.10%)` | :arrow_up: | | [ebcc/codegen/GCC2.py](https://app.codecov.io/gh/BoothGroup/ebcc/pull/35?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=BoothGroup#diff-ZWJjYy9jb2RlZ2VuL0dDQzIucHk=) | `100.00% <100.00%> (ø)` | | | [ebcc/codegen/GCC3.py](https://app.codecov.io/gh/BoothGroup/ebcc/pull/35?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=BoothGroup#diff-ZWJjYy9jb2RlZ2VuL0dDQzMucHk=) | `100.00% <100.00%> (ø)` | | | [ebcc/codegen/GCCD.py](https://app.codecov.io/gh/BoothGroup/ebcc/pull/35?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=BoothGroup#diff-ZWJjYy9jb2RlZ2VuL0dDQ0QucHk=) | `100.00% <100.00%> (ø)` | | | [ebcc/codegen/GCCSD.py](https://app.codecov.io/gh/BoothGroup/ebcc/pull/35?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=BoothGroup#diff-ZWJjYy9jb2RlZ2VuL0dDQ1NELnB5) | `100.00% <ø> (ø)` | | | [ebcc/codegen/GCCSDT.py](https://app.codecov.io/gh/BoothGroup/ebcc/pull/35?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=BoothGroup#diff-ZWJjYy9jb2RlZ2VuL0dDQ1NEVC5weQ==) | `100.00% <ø> (ø)` | | | [ebcc/codegen/GCCSDTQ.py](https://app.codecov.io/gh/BoothGroup/ebcc/pull/35?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=BoothGroup#diff-ZWJjYy9jb2RlZ2VuL0dDQ1NEVFEucHk=) | `100.00% <100.00%> (ø)` | | | [ebcc/codegen/GCCSD\_SD\_1\_1.py](https://app.codecov.io/gh/BoothGroup/ebcc/pull/35?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=BoothGroup#diff-ZWJjYy9jb2RlZ2VuL0dDQ1NEX1NEXzFfMS5weQ==) | `100.00% <100.00%> (ø)` | | | [ebcc/codegen/GCCSD\_SD\_1\_2.py](https://app.codecov.io/gh/BoothGroup/ebcc/pull/35?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=BoothGroup#diff-ZWJjYy9jb2RlZ2VuL0dDQ1NEX1NEXzFfMi5weQ==) | `100.00% <ø> (ø)` | | | [ebcc/codegen/GCCSD\_S\_1\_1.py](https://app.codecov.io/gh/BoothGroup/ebcc/pull/35?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=BoothGroup#diff-ZWJjYy9jb2RlZ2VuL0dDQ1NEX1NfMV8xLnB5) | `100.00% <100.00%> (ø)` | | | ... and [57 more](https://app.codecov.io/gh/BoothGroup/ebcc/pull/35?src=pr&el=tree-more&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=BoothGroup) | |

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