STRESS

Exchange virial stress tensor.

<STRESS

Receive virial stress tensor

Datatype: MDI_DOUBLE
Quantity: 9

The driver sends a virial stress tensor to the engine, which replaces its internal stress tensor with the stress tensor sent by the driver.

Examples

Python

import mdi

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

# receive the virial stress tensor from the engine
mdi.MDI_Send_Command("<STRESS", mdi_engine)
stress = mdi.MDI_Recv(9, mdi.MDI_DOUBLE, mdi_engine)

Python (NumPy)

import mdi
import numpy as np

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

# create a buffer to hold the virial stress tensor
stress = np.zeros(9, dtype=float)

# receive the virial stress tensor from the engine
mdi.MDI_Send_Command("<STRESS", mdi_engine)
mdi.MDI_Recv(9, mdi.MDI_DOUBLE, mdi_engine, buf=stress)

C++

#include "mdi.h"

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

// create a buffer to hold the virial stress tensor
double stress[9];

// receive the virial stress tensor from the engine
MDI_Send_Command("<STRESS", mdi_engine);
MDI_Recv(stress, 9, MDI_DOUBLE, mdi_engine);

>STRESS

Send virial stress tensor

Datatype: MDI_DOUBLE
Quantity: 9

Driver sends virial stress tensor to engine, replacing its internal tensor.