v0.10.2

Rimu v0.10.2

Diff since v0.10.1

A non-breaking restructure of the keyword arguments for lomc!(). More parameters of an FCIQMC calculation can be passed directly as keyword arguments to lomc!() reducing the need to pre-construct the initial vector and strategy-type arguments.

The script BHM-example.jl is redone.

Changed and modified keyword argument to lomc!()

• address (new) - used for starting vector and initial shift
• threading (reinstated) - controls parallelism and is used for initial starting vector
• shift (new) - initial value of shift
• dτ (now documented) - initial time step
• targetwalkers (new) - target norm for DoubleLogUpdate

New functions

• default_starting_vector - the default starting vector for lomc!

The keyword argument params::FciqmcRunStrategy is now obsolete (though still accepted). In practice it should now rarely be necessary to explicitly construct the starting vector v and the s_strat::ShiftStrategy=DoubleLogUpdate keyword argument.

Breaking changes

No breaking changes.

Merged pull requests:

• Simplify lomc! arguments (#223) (@joachimbrand)