From 10f4eb3f49e906759a5e8177af893ef4c0439879 Mon Sep 17 00:00:00 2001
From: Marcin Kirsz <mkirsz@ed.ac.uk>
Date: Thu, 31 Oct 2024 17:30:12 +0000
Subject: [PATCH] Add init PD
---
src/structure.cpp | 4 +++-
src/structure_db.cpp | 5 ++++-
2 files changed, 7 insertions(+), 2 deletions(-)
diff --git a/src/structure.cpp b/src/structure.cpp
index acb4c1b..e9ec637 100644
--- a/src/structure.cpp
+++ b/src/structure.cpp
@@ -4,7 +4,9 @@
#include <stdexcept>
#include <cmath>
-Structure::Structure() {}
+Structure::Structure() {
+ PeriodicTable::initialize();
+}
const Atom &Structure::operator()(const size_t i) const{
return atoms[i];
diff --git a/src/structure_db.cpp b/src/structure_db.cpp
index f47b5e5..c761f33 100644
--- a/src/structure_db.cpp
+++ b/src/structure_db.cpp
@@ -2,8 +2,11 @@
#include <tadah/core/periodic_table.h>
#include <cstdio>
-StructureDB::StructureDB() {}
+StructureDB::StructureDB() {
+ PeriodicTable::initialize();
+}
StructureDB::StructureDB(Config &config) {
+ PeriodicTable::initialize();
add(config);
}
--
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