NATOMS

Receive number of atoms.

<NATOMS

Receive number of atoms

Datatype: MDI_INT
Quantity: 1

The engine sends the driver the number of atoms in the engine’s system.

Examples

Python

import mdi

# connect to the engine
mdi_engine = mdi.MDI_Accept_Communicator()

# receive the number of atoms from the engine
mdi.MDI_Send_Command("<NATOMS", mdi_engine)
natoms = mdi.MDI_Recv(1, mdi.MDI_INT, mdi_engine)

C++

#include "mdi.h"

// connect to the engine
MDI_Comm mdi_engine = MDI_Accept_Communicator();

// create a buffer to hold the number of atoms
int natoms;

// receive the number of atoms from the engine
MDI_Send_Command("<NATOMS", mdi_engine);
MDI_Recv(&natoms, 1, MDI_INT, mdi_engine);