1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
|
/*
* 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 */
|
