NDENSITY

Receive number of points for electronic density on a grid.

<NDENSITY

Receive number of density grid points

Datatype: MDI_INT
Quantity: 1

The engine sends the number of grid points it is using to represent its electronic density on a grid. This command is intended to be used in conjuction with the <CDENSITY and <DENSITY commands; these three commands enable a driver to acquire the electronic density distribution of an engine in a grid representation. See the <DENSITY command for more details.

Examples

Python

import mdi

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

# receive the number of density grid points from the engine
mdi.MDI_Send_Command("<NDENSITY", mdi_engine)
ndensity = 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 density grid points
int ndensity;

// receive the number of density grid points from the engine
MDI_Send_Command("<NDENSITY", mdi_engine);
MDI_Recv(&ndensity, 1, MDI_INT, mdi_engine);