Add Maxwell-Boltzmann method for velocities

2023-10-29 20:50:54 -03:00
parent 94da4cd500
commit de4231f207
7 changed files with 149 additions and 25 deletions
--- a/src/md/Atom.cpp
+++ b/src/md/Atom.cpp
@@ -14,7 +14,9 @@
 #include "Atom.hpp"

 void printAtom(Atom atom) {
-  std::cout << "Atom(" << atom.x << ", " << atom.y << ", " << atom.z << ")" << std::endl;
+  // Print an atom in XYZ format with extra information
+  std::cout << atom.name << " " << atom.x << " " << atom.y << " " << atom.z << " " << atom.vx << " "
+            << atom.vy << " " << atom.vz << " " << atom.m << std::endl;
 }

 void printAtoms(std::vector<Atom> atoms) {