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ch5md.h
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Thu, Oct 31, 18:06
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2 KB
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Sat, Nov 2, 18:06 (2 d)
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blob
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rLAMMPS lammps
ch5md.h
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/* This file is part of ch5md
* Copyright (C) 2013-2015 Pierre de Buyl
* All rights reserved.
*
* This software may be modified and distributed under the terms
* of the BSD license. See the LICENSE file for details.
*/
#ifndef CH5MD_H
#define CH5MD_H
#ifdef __cplusplus
extern
"C"
{
#endif
#include "hdf5.h"
#include <stdbool.h>
#define CH5MD_RANK_ERROR -10
typedef
struct
h5md_element_struct
{
hid_t
group
;
hid_t
step
;
hid_t
time
;
hid_t
value
;
hid_t
datatype
;
int
is_time
;
int
current_step
;
struct
h5md_element_struct
*
link
;
struct
h5md_particles_group_struct
*
particles_group
;
}
h5md_element
;
typedef
struct
h5md_particles_group_struct
{
hid_t
group
;
h5md_element
position
;
hid_t
box
;
h5md_element
box_edges
;
h5md_element
image
;
h5md_element
velocity
;
h5md_element
force
;
h5md_element
mass
;
h5md_element
species
;
h5md_element
id
;
h5md_element
charge
;
int
local_size_max
;
}
h5md_particles_group
;
typedef
struct
{
hid_t
id
;
int
version
[
2
];
hid_t
particles
;
hid_t
observables
;
hid_t
parameters
;
}
h5md_file
;
h5md_file
h5md_create_file
(
const
char
*
filename
,
const
char
*
author
,
const
char
*
author_email
,
const
char
*
creator
,
const
char
*
creator_version
);
int
h5md_close_file
(
h5md_file
file
);
hid_t
h5md_open_file
(
const
char
*
filename
);
h5md_particles_group
h5md_create_particles_group
(
h5md_file
file
,
const
char
*
name
);
hid_t
h5md_open_particles_group
(
hid_t
particles
,
const
char
*
name
);
h5md_element
h5md_create_time_data
(
hid_t
loc
,
const
char
*
name
,
int
rank
,
int
int_dims
[],
hid_t
datatype
,
h5md_element
*
link
);
int
h5md_close_element
(
h5md_element
e
);
h5md_element
h5md_create_fixed_data_simple
(
hid_t
loc
,
const
char
*
name
,
int
rank
,
int
int_dims
[],
hid_t
datatype
,
void
*
data
);
h5md_element
h5md_create_fixed_data_scalar
(
hid_t
loc
,
const
char
*
name
,
hid_t
datatype
,
void
*
data
);
int
h5md_append
(
h5md_element
e
,
void
*
data
,
int
step
,
double
time
);
int
h5md_create_box
(
h5md_particles_group
*
group
,
int
dim
,
char
*
boundary
[],
bool
is_time
,
double
value
[],
h5md_element
*
link
);
int
h5md_write_string_attribute
(
hid_t
loc
,
const
char
*
obj_name
,
const
char
*
att_name
,
const
char
*
value
);
#ifdef __cplusplus
}
#endif
#endif
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