diff --git a/scripts/compilation/qp_create_ninja.py b/scripts/compilation/qp_create_ninja.py index b3e40a14..f1164627 100755 --- a/scripts/compilation/qp_create_ninja.py +++ b/scripts/compilation/qp_create_ninja.py @@ -1,4 +1,4 @@ -#!/usr/bin/env python +#!/usr/bin/env python2 # -*- coding: utf-8 -*- """ Usage: qp_create_ninja.py create (--development | --production) diff --git a/scripts/ezfio_interface/qp_convert_output_to_ezfio.py b/scripts/ezfio_interface/qp_convert_output_to_ezfio.py index 6b415dd7..a380d561 100755 --- a/scripts/ezfio_interface/qp_convert_output_to_ezfio.py +++ b/scripts/ezfio_interface/qp_convert_output_to_ezfio.py @@ -271,7 +271,7 @@ def write_ezfio(res, filename): # # INPUT - # {% for lanel,zcore, l_block in l_atom $} + # {% for label,zcore, l_block in l_atom $} # #local l_block l=0} # {label} GEN {zcore} {len(l_block)-1 #lmax_block} # {% for l_param in l_block%} @@ -336,6 +336,7 @@ def write_ezfio(res, filename): l_max_block = max(len(i) for i in matrix_unlocal_unpad) k_max = max([len(item) for row in matrix_unlocal_unpad for item in row]) + matrix_unlocal_semipaded = [[pad(item, k_max, [0., 2, 0.]) for item in row] for row in matrix_unlocal_unpad] empty_row = [[0., 2, 0.] for k in range(l_max_block)] diff --git a/scripts/module/qp_module.py b/scripts/module/qp_module.py index adeb3a46..e6baeee4 100755 --- a/scripts/module/qp_module.py +++ b/scripts/module/qp_module.py @@ -1,4 +1,4 @@ -#!/usr/bin/env python +#!/usr/bin/env python2 # -*- coding: utf-8 -*- """ Usage: