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qmcchem/ocaml/Qmcchem_stop.ml
Anthony Scemama c56c3ea851 Smaller time step errors
- Implemented SRMC and DMC
- Using (E_new+E_old)/2 in DMC weight reduces time step errors
- Branching weight is present in E_loc accumulation
- Introduces Error in Message.ml
2016-01-18 20:17:37 +01:00

25 lines
400 B
OCaml

open Core.Std
let run ezfio_filename =
Qputils.set_ezfio_filename ezfio_filename;
Status.write Status.Stopping
let spec =
let open Command.Spec in
empty
+> anon ("ezfio_file" %: string)
let command =
Command.basic
~summary: "Stop a running calculation"
~readme:(fun () ->
"
Stop a running calculation
")
spec
(fun ezfio_file () -> run ezfio_file )