mod_iohdf5 Module

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Contents

Variables

hid_t

Interfaces

hdf5_add_scalar hdf5_read_scalar hdf5_add_array hdf5_read_array

Functions

hdf5_array_len hdf5_name_exists

Subroutines

r_hdf5_add_scalar i_hdf5_add_scalar l_hdf5_add_scalar r1_hdf5_add_array r2_hdf5_add_array r3_hdf5_add_array i1_hdf5_add_array i2_hdf5_add_array i3_hdf5_add_array l1_hdf5_add_array l2_hdf5_add_array r1_hdf5_read_array r2_hdf5_read_array r3_hdf5_read_array i1_hdf5_read_array i2_hdf5_read_array i3_hdf5_read_array l1_hdf5_read_array l2_hdf5_read_array r_hdf5_read_scalar i_hdf5_read_scalar l_hdf5_read_scalar save_system_as_hdf5 save_topology_as_hdf5 save_electrostatics_as_hdf5 save_nonbonded_as_hdf5 save_bonded_as_hdf5 mmpol_init_from_hdf5

Variables

Type	Visibility	Attributes		Name		Initial
integer,	private,	parameter	::	hid_t	=	8

Interfaces

private interface hdf5_add_scalar

private subroutine r_hdf5_add_scalar(hid, label, scalar)

Arguments

Type	Intent	Optional	Attributes		Name
integer(kind=hid_t),	intent(in)			::	hid
character(len=*),	intent(in)			::	label
real(kind=rp),	intent(in)			::	scalar

private subroutine i_hdf5_add_scalar(hid, label, scalar)

Arguments

Type	Intent	Optional	Attributes		Name
integer(kind=hid_t),	intent(in)			::	hid
character(len=*),	intent(in)			::	label
integer(kind=ip),	intent(in)			::	scalar

private subroutine l_hdf5_add_scalar(hid, label, scalar)

Arguments

Type	Intent	Optional	Attributes		Name
integer(kind=hid_t),	intent(in)			::	hid
character(len=*),	intent(in)			::	label
logical(kind=lp),	intent(in)			::	scalar

private interface hdf5_read_scalar

private subroutine r_hdf5_read_scalar(hid, location, attname, s)

Arguments

Type	Intent	Optional	Attributes		Name
integer(kind=hid_t),	intent(in)			::	hid
character(len=*),	intent(in)			::	location
character(len=*),	intent(in)			::	attname
real(kind=rp)				::	s

private subroutine i_hdf5_read_scalar(hid, location, attname, s)

Arguments

Type	Intent	Optional	Attributes		Name
integer(kind=hid_t),	intent(in)			::	hid
character(len=*),	intent(in)			::	location
character(len=*),	intent(in)			::	attname
integer(kind=ip)				::	s

private subroutine l_hdf5_read_scalar(hid, location, attname, s)

Arguments

Type	Intent	Optional	Attributes		Name
integer(kind=hid_t),	intent(in)			::	hid
character(len=*),	intent(in)			::	location
character(len=*),	intent(in)			::	attname
logical(kind=lp)				::	s

private interface hdf5_add_array

private subroutine r1_hdf5_add_array(hid, label, v)

Arguments

Type	Intent	Optional	Attributes		Name
integer(kind=hid_t),	intent(in)			::	hid
character(len=*),	intent(in)			::	label
real(kind=rp),	intent(in),		dimension(:)	::	v

private subroutine r2_hdf5_add_array(hid, label, v)

Arguments

Type	Intent	Optional	Attributes		Name
integer(kind=hid_t),	intent(in)			::	hid
character(len=*),	intent(in)			::	label
real(kind=rp),	intent(in),		dimension(:,:)	::	v

private subroutine r3_hdf5_add_array(hid, label, v)

Arguments

Type	Intent	Optional	Attributes		Name
integer(kind=hid_t),	intent(in)			::	hid
character(len=*),	intent(in)			::	label
real(kind=rp),	intent(in),		dimension(:,:,:)	::	v

private subroutine i1_hdf5_add_array(hid, label, v)

Arguments

Type	Intent	Optional	Attributes		Name
integer(kind=hid_t),	intent(in)			::	hid
character(len=*),	intent(in)			::	label
integer(kind=ip),	intent(in),		dimension(:)	::	v

private subroutine i2_hdf5_add_array(hid, label, v)

Arguments

Type	Intent	Optional	Attributes		Name
integer(kind=hid_t),	intent(in)			::	hid
character(len=*),	intent(in)			::	label
integer(kind=ip),	intent(in),		dimension(:,:)	::	v

private subroutine i3_hdf5_add_array(hid, label, v)

Arguments

Type	Intent	Optional	Attributes		Name
integer(kind=hid_t),	intent(in)			::	hid
character(len=*),	intent(in)			::	label
integer(kind=ip),	intent(in),		dimension(:,:,:)	::	v

private subroutine l1_hdf5_add_array(hid, label, v)

Arguments

Type	Intent	Optional	Attributes		Name
integer(kind=hid_t),	intent(in)			::	hid
character(len=*),	intent(in)			::	label
logical(kind=lp),	intent(in),		dimension(:)	::	v

private subroutine l2_hdf5_add_array(hid, label, v)

Arguments

Type	Intent	Optional	Attributes		Name
integer(kind=hid_t),	intent(in)			::	hid
character(len=*),	intent(in)			::	label
logical(kind=lp),	intent(in),		dimension(:,:)	::	v

private interface hdf5_read_array

private subroutine r1_hdf5_read_array(hid, dataset_name, v)

Arguments

Type	Intent	Optional	Attributes		Name
integer(kind=hid_t),	intent(in)			::	hid
character(len=*),	intent(in)			::	dataset_name
real(kind=rp),			allocatable, dimension(:)	::	v

private subroutine r2_hdf5_read_array(hid, dataset_name, v)

Arguments

Type	Intent	Optional	Attributes		Name
integer(kind=hid_t),	intent(in)			::	hid
character(len=*),	intent(in)			::	dataset_name
real(kind=rp),			allocatable, dimension(:,:)	::	v

private subroutine r3_hdf5_read_array(hid, dataset_name, v)

Arguments

Type	Intent	Optional	Attributes		Name
integer(kind=hid_t),	intent(in)			::	hid
character(len=*),	intent(in)			::	dataset_name
real(kind=rp),			allocatable, dimension(:,:,:)	::	v

private subroutine i1_hdf5_read_array(hid, dataset_name, v)

Arguments

Type	Intent	Optional	Attributes		Name
integer(kind=hid_t),	intent(in)			::	hid
character(len=*),	intent(in)			::	dataset_name
integer(kind=ip),			allocatable, dimension(:)	::	v

private subroutine i2_hdf5_read_array(hid, dataset_name, v)

Arguments

Type	Intent	Optional	Attributes		Name
integer(kind=hid_t),	intent(in)			::	hid
character(len=*),	intent(in)			::	dataset_name
integer(kind=ip),			allocatable, dimension(:,:)	::	v

private subroutine i3_hdf5_read_array(hid, dataset_name, v)

Arguments

Type	Intent	Optional	Attributes		Name
integer(kind=hid_t),	intent(in)			::	hid
character(len=*),	intent(in)			::	dataset_name
integer(kind=ip),			allocatable, dimension(:,:,:)	::	v

private subroutine l1_hdf5_read_array(hid, dataset_name, v)

Arguments

Type	Intent	Optional	Attributes		Name
integer(kind=hid_t),	intent(in)			::	hid
character(len=*),	intent(in)			::	dataset_name
logical(kind=lp),			allocatable, dimension(:)	::	v

private subroutine l2_hdf5_read_array(hid, dataset_name, v)

Arguments

Type	Intent	Optional	Attributes		Name
integer(kind=hid_t),	intent(in)			::	hid
character(len=*),	intent(in)			::	dataset_name
logical(kind=lp),			allocatable, dimension(:,:)	::	v

Functions

private function hdf5_array_len(hid, dataset_name)

Arguments

Type	Intent	Optional	Attributes		Name
integer(kind=hid_t),	intent(in)			::	hid
character(len=*),	intent(in)			::	dataset_name

Return Value integer(kind=ip)

private function hdf5_name_exists(hid, location) result(exists)

Arguments

Type	Intent	Optional	Attributes		Name
integer(kind=hid_t),	intent(in)			::	hid
character(len=*),	intent(in)			::	location

Return Value logical

Subroutines

private subroutine r_hdf5_add_scalar(hid, label, scalar)

Arguments

Type	Intent	Optional	Attributes		Name
integer(kind=hid_t),	intent(in)			::	hid
character(len=*),	intent(in)			::	label
real(kind=rp),	intent(in)			::	scalar

private subroutine i_hdf5_add_scalar(hid, label, scalar)

Arguments

Type	Intent	Optional	Attributes		Name
integer(kind=hid_t),	intent(in)			::	hid
character(len=*),	intent(in)			::	label
integer(kind=ip),	intent(in)			::	scalar

private subroutine l_hdf5_add_scalar(hid, label, scalar)

Arguments

Type	Intent	Optional	Attributes		Name
integer(kind=hid_t),	intent(in)			::	hid
character(len=*),	intent(in)			::	label
logical(kind=lp),	intent(in)			::	scalar

private subroutine r1_hdf5_add_array(hid, label, v)

Arguments

Type	Intent	Optional	Attributes		Name
integer(kind=hid_t),	intent(in)			::	hid
character(len=*),	intent(in)			::	label
real(kind=rp),	intent(in),		dimension(:)	::	v

private subroutine r2_hdf5_add_array(hid, label, v)

Arguments

Type	Intent	Optional	Attributes		Name
integer(kind=hid_t),	intent(in)			::	hid
character(len=*),	intent(in)			::	label
real(kind=rp),	intent(in),		dimension(:,:)	::	v

private subroutine r3_hdf5_add_array(hid, label, v)

Arguments

Type	Intent	Optional	Attributes		Name
integer(kind=hid_t),	intent(in)			::	hid
character(len=*),	intent(in)			::	label
real(kind=rp),	intent(in),		dimension(:,:,:)	::	v

private subroutine i1_hdf5_add_array(hid, label, v)

Arguments

Type	Intent	Optional	Attributes		Name
integer(kind=hid_t),	intent(in)			::	hid
character(len=*),	intent(in)			::	label
integer(kind=ip),	intent(in),		dimension(:)	::	v

private subroutine i2_hdf5_add_array(hid, label, v)

Arguments

Type	Intent	Optional	Attributes		Name
integer(kind=hid_t),	intent(in)			::	hid
character(len=*),	intent(in)			::	label
integer(kind=ip),	intent(in),		dimension(:,:)	::	v

private subroutine i3_hdf5_add_array(hid, label, v)

Arguments

Type	Intent	Optional	Attributes		Name
integer(kind=hid_t),	intent(in)			::	hid
character(len=*),	intent(in)			::	label
integer(kind=ip),	intent(in),		dimension(:,:,:)	::	v

private subroutine l1_hdf5_add_array(hid, label, v)

Arguments

Type	Intent	Optional	Attributes		Name
integer(kind=hid_t),	intent(in)			::	hid
character(len=*),	intent(in)			::	label
logical(kind=lp),	intent(in),		dimension(:)	::	v

private subroutine l2_hdf5_add_array(hid, label, v)

Arguments

Type	Intent	Optional	Attributes		Name
integer(kind=hid_t),	intent(in)			::	hid
character(len=*),	intent(in)			::	label
logical(kind=lp),	intent(in),		dimension(:,:)	::	v

private subroutine r1_hdf5_read_array(hid, dataset_name, v)

Arguments

Type	Intent	Optional	Attributes		Name
integer(kind=hid_t),	intent(in)			::	hid
character(len=*),	intent(in)			::	dataset_name
real(kind=rp),			allocatable, dimension(:)	::	v

private subroutine r2_hdf5_read_array(hid, dataset_name, v)

Arguments

Type	Intent	Optional	Attributes		Name
integer(kind=hid_t),	intent(in)			::	hid
character(len=*),	intent(in)			::	dataset_name
real(kind=rp),			allocatable, dimension(:,:)	::	v

private subroutine r3_hdf5_read_array(hid, dataset_name, v)

Arguments

Type	Intent	Optional	Attributes		Name
integer(kind=hid_t),	intent(in)			::	hid
character(len=*),	intent(in)			::	dataset_name
real(kind=rp),			allocatable, dimension(:,:,:)	::	v

private subroutine i1_hdf5_read_array(hid, dataset_name, v)

Arguments

Type	Intent	Optional	Attributes		Name
integer(kind=hid_t),	intent(in)			::	hid
character(len=*),	intent(in)			::	dataset_name
integer(kind=ip),			allocatable, dimension(:)	::	v

private subroutine i2_hdf5_read_array(hid, dataset_name, v)

Arguments

Type	Intent	Optional	Attributes		Name
integer(kind=hid_t),	intent(in)			::	hid
character(len=*),	intent(in)			::	dataset_name
integer(kind=ip),			allocatable, dimension(:,:)	::	v

private subroutine i3_hdf5_read_array(hid, dataset_name, v)

Arguments

Type	Intent	Optional	Attributes		Name
integer(kind=hid_t),	intent(in)			::	hid
character(len=*),	intent(in)			::	dataset_name
integer(kind=ip),			allocatable, dimension(:,:,:)	::	v

private subroutine l1_hdf5_read_array(hid, dataset_name, v)

Arguments

Type	Intent	Optional	Attributes		Name
integer(kind=hid_t),	intent(in)			::	hid
character(len=*),	intent(in)			::	dataset_name
logical(kind=lp),			allocatable, dimension(:)	::	v

private subroutine l2_hdf5_read_array(hid, dataset_name, v)

Arguments

Type	Intent	Optional	Attributes		Name
integer(kind=hid_t),	intent(in)			::	hid
character(len=*),	intent(in)			::	dataset_name
logical(kind=lp),			allocatable, dimension(:,:)	::	v

private subroutine r_hdf5_read_scalar(hid, location, attname, s)

Arguments

Type	Intent	Optional	Attributes		Name
integer(kind=hid_t),	intent(in)			::	hid
character(len=*),	intent(in)			::	location
character(len=*),	intent(in)			::	attname
real(kind=rp)				::	s

private subroutine i_hdf5_read_scalar(hid, location, attname, s)

Arguments

Type	Intent	Optional	Attributes		Name
integer(kind=hid_t),	intent(in)			::	hid
character(len=*),	intent(in)			::	location
character(len=*),	intent(in)			::	attname
integer(kind=ip)				::	s

private subroutine l_hdf5_read_scalar(hid, location, attname, s)

Arguments

Type	Intent	Optional	Attributes		Name
integer(kind=hid_t),	intent(in)			::	hid
character(len=*),	intent(in)			::	location
character(len=*),	intent(in)			::	attname
logical(kind=lp)				::	s

public subroutine save_system_as_hdf5(filename, s, out_fail, namespace, mutable_only)

Arguments

Type	Intent	Optional	Attributes		Name
character(len=*),	intent(in)			::	filename
type(ommp_system),	intent(in)			::	s
integer(kind=ip),	intent(out)			::	out_fail
character(len=*),	intent(in)			::	namespace
logical(kind=lp),	intent(in)			::	mutable_only

private subroutine save_topology_as_hdf5(iof_hdf5, top, out_fail, namespace, mutable_only)

Arguments

Type	Intent	Optional	Attributes		Name
integer(kind=hid_t)				::	iof_hdf5
type(ommp_topology_type),	intent(in)			::	top
integer(kind=ip),	intent(out)			::	out_fail
character(len=*),	intent(in)			::	namespace
logical(kind=lp),	intent(in)			::	mutable_only

private subroutine save_electrostatics_as_hdf5(iof_hdf5, eel, out_fail, namespace, mutable_only)

Arguments

Type	Intent	Optional	Attributes		Name
integer(kind=hid_t)				::	iof_hdf5
type(ommp_electrostatics_type),	intent(in)			::	eel
integer(kind=ip),	intent(out)			::	out_fail
character(len=*),	intent(in)			::	namespace
logical(kind=lp),	intent(in)			::	mutable_only

private subroutine save_nonbonded_as_hdf5(iof_hdf5, vdw, out_fail, namespace, mutable_only)

Arguments

Type	Intent	Optional	Attributes		Name
integer(kind=hid_t)				::	iof_hdf5
type(ommp_nonbonded_type),	intent(in)			::	vdw
integer(kind=ip),	intent(out)			::	out_fail
character(len=*),	intent(in)			::	namespace
logical(kind=lp),	intent(in)			::	mutable_only

private subroutine save_bonded_as_hdf5(iof_hdf5, bds, out_fail, namespace, mutable_only)

Arguments

Type	Intent	Optional	Attributes		Name
integer(kind=hid_t)				::	iof_hdf5
type(ommp_bonded_type),	intent(in)			::	bds
integer(kind=ip),	intent(out)			::	out_fail
character(len=*),	intent(in)			::	namespace
logical(kind=lp),	intent(in)			::	mutable_only

public subroutine mmpol_init_from_hdf5(filename, namespace, s, out_fail)

Arguments

Type	Intent	Optional	Attributes		Name
character(len=*),	intent(in)			::	filename
character(len=*),	intent(in)			::	namespace
type(ommp_system),	intent(inout),		target	::	s
integer(kind=ip),	intent(out)			::	out_fail