mirror of
https://github.com/LCPQ/quantum_package
synced 2024-12-23 12:56:14 +01:00
Correct the qmcpack script
This commit is contained in:
parent
78317b2f9c
commit
33d70af2e5
@ -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 *)
|
||||||
|
@ -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)
|
||||||
|
Loading…
Reference in New Issue
Block a user