mirror of https://gitlab.com/QEF/q-e.git
42 lines
1.2 KiB
C
42 lines
1.2 KiB
C
/*
|
|
* Copyright (C) 2013 Quantum ESPRESSO group
|
|
* This file is distributed under the terms of the
|
|
* GNU General Public License. See the file `License'
|
|
* in the root directory of the present distribution,
|
|
* or http://www.gnu.org/copyleft/gpl.txt .
|
|
*/
|
|
|
|
/* C/C++ interface to the codes of the Quantum ESPRESSO package */
|
|
|
|
#ifndef QE_LIBCOUPLE_H
|
|
#define QE_LIBCOUPLE_H
|
|
|
|
/* API version of the COUPLE library C interface.
|
|
* Increment, if incompatible changes are made to the API. */
|
|
|
|
#define QE_LIBCOUPLE_API_VERSION 1
|
|
|
|
#ifdef __cplusplus
|
|
extern "C" {
|
|
#endif
|
|
|
|
/* interface to pw.x */
|
|
/* launch a pw.x-like calculation */
|
|
void c2libpwscf(int lib_comm, int nimage, int npot, int npool, int ntaskgroup,
|
|
int nband, int ndiag, int *exit_status, char *input_file);
|
|
|
|
/* interface to cp.x */
|
|
/* launch a cp.x-like calculation */
|
|
void c2libcpv(int lib_comm, int nimage, int npot, int npool, int ntaskgroup,
|
|
int nband, int ndiag, int *exit_status, char *input_file);
|
|
|
|
/* accessing the qmmm.f90 module */
|
|
/* pass in the inter program communicator */
|
|
void c2qmmm_mpi_config(int qmmm_mode, int inter_comm, int verb, int inter_rank);
|
|
|
|
#ifdef __cplusplus
|
|
}
|
|
#endif
|
|
|
|
#endif /* QE_LIBCOUPLE_H */
|