From 54a001743bb7b6e6561ad0cdba0e5607a9df7e0b Mon Sep 17 00:00:00 2001 From: TApplencourt Date: Tue, 1 Mar 2016 15:42:16 +0100 Subject: [PATCH] qmcpack Transform +/- -> 10 --- plugins/qmcpack/qp_convert_qmcpack_to_ezfio.py | 16 ++++++++++++++-- 1 file changed, 14 insertions(+), 2 deletions(-) diff --git a/plugins/qmcpack/qp_convert_qmcpack_to_ezfio.py b/plugins/qmcpack/qp_convert_qmcpack_to_ezfio.py index f0bfe174..7430ad54 100755 --- a/plugins/qmcpack/qp_convert_qmcpack_to_ezfio.py +++ b/plugins/qmcpack/qp_convert_qmcpack_to_ezfio.py @@ -332,7 +332,19 @@ pos = det_raw.rfind(token) + len(token) det_without_header = det_raw[pos+2::] -print det_without_header +d_rep={"+":"1","-":"0"} + +det_without_header = det_raw[pos+2::] + +for line_raw in det_without_header.split("\n"): + line = line_raw + + if line_raw: + try: + float(line) + except ValueError: + line= "".join([d_rep[x] if x in d_rep else x for x in line_raw]) + + print line.strip() print "END_DET" -