ELECT_MULT#

Exchange electronic multiplicity.

>ELECT_MULT#

Send electronic multiplicity.

Datatype: MDI_INT
Quantity: 1

The driver sends the electronic multiplicity of the system to the engine. This command is typically only appropriate for quantum mechanics engines.

Examples#

Python

import mdi

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

# send the electronic multiplicity to the engine
elect_mult = 1
mdi.MDI_Send_Command(">ELECT_MULT", mdi_engine)

C++

#include "mdi.h"

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

// send the electronic multiplicity to the engine
int elect_mult = 1;
MDI_Send_Command(">ELECT_MULT", mdi_engine);
MDI_Send(&elect_mult, 1, MDI_INT, mdi_engine);

<ELECT_MULT#

Receive electronic multiplicity.

Datatype: MDI_INT
Quantity: 1

The engine sends the electronic multiplicity of its system to the driver. This command is typically only appropriate for quantum mechanics engines.

Examples#

Python

import mdi

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

# receive the electronic multiplicity from the engine
mdi.MDI_Send_Command("<ELECT_MULT", mdi_engine)
elect_mult = 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 electronic multiplicity
int elect_mult;

// receive the electronic multiplicity from the engine
MDI_Send_Command("<ELECT_MULT", mdi_engine);
MDI_Recv(&elect_mult, 1, MDI_INT, mdi_engine);