Skip to content
Snippets Groups Projects
Commit 1414cad1 authored by Marcin Kirsz's avatar Marcin Kirsz
Browse files

Merge branch 'develop' into 'main'

Add init PD

See merge request !4
parents a202db50 10f4eb3f
No related branches found
No related tags found
1 merge request!4Add init PD
Pipeline #47616 passed
...@@ -4,7 +4,9 @@ ...@@ -4,7 +4,9 @@
#include <stdexcept> #include <stdexcept>
#include <cmath> #include <cmath>
Structure::Structure() {} Structure::Structure() {
PeriodicTable::initialize();
}
const Atom &Structure::operator()(const size_t i) const{ const Atom &Structure::operator()(const size_t i) const{
return atoms[i]; return atoms[i];
......
...@@ -2,8 +2,11 @@ ...@@ -2,8 +2,11 @@
#include <tadah/core/periodic_table.h> #include <tadah/core/periodic_table.h>
#include <cstdio> #include <cstdio>
StructureDB::StructureDB() {} StructureDB::StructureDB() {
PeriodicTable::initialize();
}
StructureDB::StructureDB(Config &config) { StructureDB::StructureDB(Config &config) {
PeriodicTable::initialize();
add(config); add(config);
} }
......
0% Loading or .
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!
Please register or to comment