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SebWouters / CheMPS2

CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry
GNU General Public License v2.0
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Is CheMPS2 still being developed? #72

Closed anton-buyskikh closed 2 years ago

SebWouters commented 4 years ago

Hi Anton,

Since I've left academia in 2016, there's no active development. Bugs inside CheMPS2 functionality are still handled, and I'm in touch with Quan Phung, who supports the interface to molcas/openmolcas.

May I ask for the reason of your inquiry?

Best regards, Sebastian

anton-buyskikh commented 4 years ago

Hi Sebastian,

Thank you very much for your quick reply! I'm doing a survey of existing packages in quantum chemistry with tensor networks for a potential use in quantum computing. If you know any other alternatives it will be much appreciated.

Cheers, Anton

SebWouters commented 4 years ago

Hi Anton,

Please check Table 2 (page 17) of EPJD paper https://doi.org/10.1140/epjd/e2014-50500-1, which can be retrieved free of charge via e.g. https://www.epj.org/images/stories/news/2014/epj_d_22-09-14.pdf or https://arxiv.org/pdf/1407.2040.pdf.

Best regards, Sebastian