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Is CASINO code capable of performing orbital-space QMC calculations?

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  • $\begingroup$ I'm not sure the CASINO code you linked to is even a QMC code. Did you mean this CASINO? If so, my impression is that it doesn't have auxiliary field QMC, but maybe it does have some other orbital-space formulation? QMCPACK certainly does have AFQMC though. $\endgroup$ – Anyon Jul 28 '20 at 14:48
  • $\begingroup$ @Anyon your comment is probably enough for an answer at this point. It seems as though QMCPACK only recently (2018) added their orbital space formulation and they dominate the Google search results for this. From skimming the CASINO manual, there seems to be no mention of "orbital space" or "auxiliary field". $\endgroup$ – Tyberius Jul 29 '20 at 21:35
  • $\begingroup$ @Tyberius It does DMC and VMC but I'm not 100% sure it can't work in orbital-space. $\endgroup$ – Nike Dattani Jul 30 '20 at 12:44
  • $\begingroup$ @NikeDattani it looks as though the recent answer is from one of the developers. $\endgroup$ – Tyberius Jul 30 '20 at 12:48
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    $\begingroup$ @Tyberius I saw that but it says neither yes nor no. I'll ask Pablo Lopez-Rios (one of the main developers) shortly. $\endgroup$ – Nike Dattani Jul 30 '20 at 12:51
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CASINO is a continuum quantum Monte Carlo code, allowing you to perform variational and diffusion quantum Monte Carlo.

Best wishes,

Neil.

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