Version 2.3.1 of NTPoly is now available.
Version 2.3.1 contains some fixes and minor improvements.
- Major fix to the implementation of the purification based extrapolation technique (thanks to Victor Yu).
- Rubennson’s Scale and Fold purification technique.
- cmake now automatically handles the use of position independent code.
- More options for cmake.
- Improvements to the CI system.
I would note that the Scale and Fold technique requires knowledge about the homo and lumo band locations, which makes it less easy to use. However, the performance is good, so I think this should at least be included as a benchmark to compare new methods against.
I hope that this new version of NTPoly is easier to compile. I am also planning on adding it to the SPACK package manager soon.