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Merge pull request #135 from TApplencourt/master

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QMCPACK correction
This commit is contained in:
Thomas Applencourt 2016-02-04 18:55:32 +01:00
commit 3e8e8ab0d4
2 changed files with 2 additions and 2 deletions
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2
ocaml/qp_create_ezfio_from_xyz.ml
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@ -85,7 +85,7 @@ let list_basis () =
) )
in in
List.sort basis_list ~cmp:String.ascending List.sort basis_list ~cmp:String.ascending
|> String.concat ~sep:"\t" |> String.concat ~sep:"\n"
(** Run the program *) (** Run the program *)

2
plugins/qmcpack/qp_convert_qmcpack_from_ezfio.py
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@ -90,7 +90,7 @@ basis_raw, sym_raw, _= out.split("\n\n\n")
# |_) (_| _> | _> __) (/_ |_ # |_) (_| _> | _> __) (/_ |_
# #
basis_without_header = "\n".join(basis_raw.split("\n")[7:]) basis_without_header = "\n".join(basis_raw.split("\n")[11:])
import re import re
l_basis_raw = re.split('\n\s*\n', basis_without_header) l_basis_raw = re.split('\n\s*\n', basis_without_header)