From e920be45876fc2cd3d4d2a409fb5c7ee08898dc8 Mon Sep 17 00:00:00 2001 From: Anthony Scemama Date: Tue, 18 Apr 2023 12:43:31 +0200 Subject: [PATCH] python -> python3 --- external/qp2-dependencies | 2 +- src/nuclei/write_pt_charges.py | 4 ++-- 2 files changed, 3 insertions(+), 3 deletions(-) diff --git a/external/qp2-dependencies b/external/qp2-dependencies index b9e877d9..fd43778e 160000 --- a/external/qp2-dependencies +++ b/external/qp2-dependencies @@ -1 +1 @@ -Subproject commit b9e877d9a9444a2aac23ec94b4a174caa4a10dd2 +Subproject commit fd43778e12bb5858c4c780c34346be0f158b8cc7 diff --git a/src/nuclei/write_pt_charges.py b/src/nuclei/write_pt_charges.py index 6dbcd5b8..dffe469b 100644 --- a/src/nuclei/write_pt_charges.py +++ b/src/nuclei/write_pt_charges.py @@ -1,4 +1,4 @@ -#!/usr/bin/env python +#!/usr/bin/env python3 import os import sys @@ -52,7 +52,7 @@ fncharges.write(" "+str(n_charges)+'\n') fncharges.close() mv_in_ezfio(EZFIO,tmp) -# Write the file containing the charges and set in EZFIO folder +# Write the file containing the charges and set in EZFIO folder tmp="pts_charge_z" fcharges = open(tmp,'w') fcharges.write(" 1\n")