From 49116caabdd608a9127a4322a126e10a048764b2 Mon Sep 17 00:00:00 2001 From: Han Wang <92130845+wanghan-iapcm@users.noreply.github.com> Date: Fri, 20 Sep 2024 08:31:28 +0800 Subject: [PATCH] remove duplicated code Signed-off-by: Han Wang <92130845+wanghan-iapcm@users.noreply.github.com> --- dpdata/qe/scf.py | 13 ------------- 1 file changed, 13 deletions(-) diff --git a/dpdata/qe/scf.py b/dpdata/qe/scf.py index 34bbaa95..3d3cef36 100755 --- a/dpdata/qe/scf.py +++ b/dpdata/qe/scf.py @@ -15,19 +15,6 @@ length_convert as bohr2ang, ) -_QE_BLOCK_KEYWORDS = [ - "ATOMIC_SPECIES", - "ATOMIC_POSITIONS", - "K_POINTS", - "ADDITIONAL_K_POINTS", - "CELL_PARAMETERS", - "CONSTRAINTS", - "OCCUPATIONS", - "ATOMIC_VELOCITIES", - "ATOMIC_FORCES", - "SOLVENTS", - "HUBBARD", -] _QE_BLOCK_KEYWORDS = [ "ATOMIC_SPECIES",