Octopus
Data Types | Functions/Subroutines | Variables
restart_oct_m Module Reference

Data Types

type  restart_basic_data_t
 restart_basic_data_t stores global information about a specific component we want to save. This includes the tag, and the specific sub folder. These information are the same for all restart objects. More...
 
type  restart_basic_t
 restart_basic_t stores the basic information about a restart object. More...
 
interface  restart_block_signals
 block signals while writing the restart files More...
 
type  restart_data_t
 
type  restart_t
 
interface  restart_unblock_signals
 unblock signals when writing restart is finished More...
 

Functions/Subroutines

logical function, public clean_stop (comm)
 returns true if a file named stop exists More...
 
subroutine restart_basic_init (restart, namespace, data_type, type, ierr, dir)
 
logical function restart_basic_do_i_write (restart)
 
subroutine restart_init (restart, namespace, data_type, type, mc, ierr, mesh, dir, exact)
 Initializes a specific restart object. More...
 
subroutine restart_basic_end (restart)
 
subroutine restart_end (restart)
 
character(len=max_path_len) function restart_basic_dir (restart)
 Returns the name of the directory containing the restart information. The use of this function should be avoided, as the access to the restart data should always be done through this module, and it is only provided to allow some older parts of the code to keep functioning until someone fixes them. More...
 
subroutine restart_basic_open_dir (restart, dirname, ierr)
 Change the restart directory to dirname, where "dirname" is a subdirectory of the base restart directory. More...
 
subroutine restart_basic_close_dir (restart)
 Change back to the base directory. To be called after restart_basic_open_dir. More...
 
subroutine restart_basic_mkdir (restart, dirname)
 Make directory "dirname" inside the current restart directory. More...
 
subroutine restart_basic_rm (restart, name)
 Remove directory or file "name" that is located inside the current restart directory. More...
 
integer function restart_basic_open (restart, filename, status, position, silent)
 Open file "filename" found inside the current restart directory. Depending on the type of restart, the file will be used for reading (RESTART_TYPE_LOAD), or for writing (RESTART_TYPE_DUMP). Note that this function only be used to open formatted files and that unformatted data should be accessed using the restart_*_binary subroutines. More...
 
subroutine restart_basic_write (restart, iunit, lines, nlines, ierr)
 
subroutine restart_basic_read (restart, iunit, lines, nlines, ierr)
 
subroutine restart_basic_close (restart, iunit)
 Close a file previously opened with restart_basic_open. More...
 
logical pure function restart_basic_skip (restart)
 Returns true if the restart information should neither be read nor written. This might happen because the user chose not to write any restart information, or because the restart information is not available for reading. More...
 
logical pure function restart_basic_has_flag (restart, flag)
 Returns true if... More...
 
logical pure function restart_has_map (restart)
 Returns true if the restart was from a different order of mesh points. More...
 
integer pure function restart_basic_get_data_type (restart)
 Returns the data type of the restart. More...
 
character(:) function, allocatable restart_basic_get_info (restart)
 
character(:) function, allocatable restart_get_info (restart)
 
subroutine drestart_write_mesh_function (restart, filename, mesh, ff, ierr, root)
 
subroutine drestart_read_mesh_function (restart, filename, mesh, ff, ierr)
 In domain parallel case each process reads a part of the file. At the end all the processes have the corresponding mesh part. More...
 
subroutine drestart_write_binary1 (restart, filename, np, ff, ierr, root)
 
subroutine drestart_write_binary2 (restart, filename, np, ff, ierr, root)
 
subroutine drestart_write_binary3 (restart, filename, np, ff, ierr, root)
 
subroutine drestart_write_binary5 (restart, filename, np, ff, ierr, root)
 
subroutine drestart_read_binary1 (restart, filename, np, ff, ierr)
 
subroutine drestart_read_binary2 (restart, filename, np, ff, ierr)
 
subroutine drestart_read_binary3 (restart, filename, np, ff, ierr)
 
subroutine drestart_read_binary5 (restart, filename, np, ff, ierr)
 
subroutine drestart_write_binary1_int32 (restart, filename, np, ff, ierr, root)
 
subroutine drestart_write_binary2_int32 (restart, filename, np, ff, ierr, root)
 
subroutine drestart_write_binary3_int32 (restart, filename, np, ff, ierr, root)
 
subroutine drestart_write_binary5_int32 (restart, filename, np, ff, ierr, root)
 
subroutine drestart_read_binary1_int32 (restart, filename, np, ff, ierr)
 
subroutine drestart_read_binary2_int32 (restart, filename, np, ff, ierr)
 
subroutine drestart_read_binary3_int32 (restart, filename, np, ff, ierr)
 
subroutine drestart_read_binary5_int32 (restart, filename, np, ff, ierr)
 
subroutine zrestart_write_mesh_function (restart, filename, mesh, ff, ierr, root)
 
subroutine zrestart_read_mesh_function (restart, filename, mesh, ff, ierr)
 In domain parallel case each process reads a part of the file. At the end all the processes have the corresponding mesh part. More...
 
subroutine zrestart_write_binary1 (restart, filename, np, ff, ierr, root)
 
subroutine zrestart_write_binary2 (restart, filename, np, ff, ierr, root)
 
subroutine zrestart_write_binary3 (restart, filename, np, ff, ierr, root)
 
subroutine zrestart_write_binary5 (restart, filename, np, ff, ierr, root)
 
subroutine zrestart_read_binary1 (restart, filename, np, ff, ierr)
 
subroutine zrestart_read_binary2 (restart, filename, np, ff, ierr)
 
subroutine zrestart_read_binary3 (restart, filename, np, ff, ierr)
 
subroutine zrestart_read_binary5 (restart, filename, np, ff, ierr)
 
subroutine zrestart_write_binary1_int32 (restart, filename, np, ff, ierr, root)
 
subroutine zrestart_write_binary2_int32 (restart, filename, np, ff, ierr, root)
 
subroutine zrestart_write_binary3_int32 (restart, filename, np, ff, ierr, root)
 
subroutine zrestart_write_binary5_int32 (restart, filename, np, ff, ierr, root)
 
subroutine zrestart_read_binary1_int32 (restart, filename, np, ff, ierr)
 
subroutine zrestart_read_binary2_int32 (restart, filename, np, ff, ierr)
 
subroutine zrestart_read_binary3_int32 (restart, filename, np, ff, ierr)
 
subroutine zrestart_read_binary5_int32 (restart, filename, np, ff, ierr)
 

Variables

integer, parameter restart_n_data_types = 14
 The data_types refer mainly to the run-mode of the calculation. More...
 
integer, parameter, public restart_undefined = -1
 
integer, parameter, public restart_all = 0
 
integer, parameter, public restart_gs = 1
 
integer, parameter, public restart_unocc = 2
 
integer, parameter, public restart_td = 3
 
integer, parameter, public restart_em_resp = 4
 
integer, parameter, public restart_em_resp_fd = 5
 
integer, parameter, public restart_kdotp = 6
 
integer, parameter, public restart_vib_modes = 7
 
integer, parameter, public restart_vdw = 8
 
integer, parameter, public restart_casida = 9
 
integer, parameter, public restart_oct = 10
 
integer, parameter, public restart_partition = 11
 
integer, parameter, public restart_proj = 12
 
integer, parameter, public restart_iteration = 13
 
integer, parameter, public restart_custom = 14
 
integer, parameter, public restart_type_dump = 1
 
integer, parameter, public restart_type_load = 2
 
integer, parameter, public restart_flag_states = 1
 For each data type, we can write different information into the restart file, which are selected by the restart flags: More...
 
integer, parameter, public restart_flag_rho = 2
 
integer, parameter, public restart_flag_vhxc = 4
 
integer, parameter, public restart_flag_mix = 8
 
integer, parameter, public restart_flag_skip = 16
 
integer, parameter, public restart_flag_literal = 32
 
character(len=4), dimension(2), parameter type_string = (/ "DUMP", "LOAD"/)
 
type(restart_basic_data_t), dimension(restart_undefined:restart_n_data_types), parameter basic_info = [ restart_basic_data_t("Undefined", ""), restart_basic_data_t("All", ""), restart_basic_data_t("Ground-state", GS_DIR), restart_basic_data_t("Unoccupied states", GS_DIR), restart_basic_data_t("Time-dependent", TD_DIR), restart_basic_data_t("EM Resp.", EM_RESP_DIR), restart_basic_data_t("EM Resp. FD", EM_RESP_FD_DIR), restart_basic_data_t("KdotP", KDOTP_DIR), restart_basic_data_t("Vib. Modes", VIB_MODES_DIR), restart_basic_data_t("VdW", VDW_DIR), restart_basic_data_t("Casida", CASIDA_DIR), restart_basic_data_t("Optimal Control", OCT_DIR), restart_basic_data_t("Mesh Partition", PARTITION_DIR, RESTART_FLAG_SKIP), restart_basic_data_t("GS for TDOutput", GS_DIR), restart_basic_data_t("Iteration counter", ITERATION_DIR), restart_basic_data_t("Custom data", "") ]
 Information about the components for a given system. More...
 

Function/Subroutine Documentation

◆ clean_stop()

logical function, public restart_oct_m::clean_stop ( type(mpi_comm), intent(in)  comm)

returns true if a file named stop exists

Definition at line 334 of file restart.F90.

◆ restart_basic_init()

subroutine restart_oct_m::restart_basic_init ( class(restart_basic_t), intent(out)  restart,
type(namespace_t), intent(in), target  namespace,
integer, intent(in)  data_type,
integer, intent(in)  type,
integer, intent(out)  ierr,
character(len=*), intent(in), optional  dir 
)
private
Parameters
[out]restartRestart information
[in]data_typeRestart data type (RESTART_GS, RESTART_TD, etc)
[in]typeIs this restart used for dumping (type = RESTART_TYPE_DUMP) or for loading (type = RESTART_TYPE_LOAD)?
[out]ierrError code, if any. Required for LOAD, should not be present for DUMP.
[in]dirDirectory where to find the restart data. It is mandatory if data_type=RESTART_UNDEFINED and is ignored in all the other cases.

Definition at line 366 of file restart.F90.

◆ restart_basic_do_i_write()

logical function restart_oct_m::restart_basic_do_i_write ( class(restart_basic_t), intent(in)  restart)
private

Definition at line 691 of file restart.F90.

◆ restart_init()

subroutine restart_oct_m::restart_init ( class(restart_t), intent(out)  restart,
type(namespace_t), intent(in), target  namespace,
integer, intent(in)  data_type,
integer, intent(in)  type,
type(multicomm_t), intent(in), target  mc,
integer, intent(out)  ierr,
class(mesh_t), intent(in), optional  mesh,
character(len=*), intent(in), optional  dir,
logical, intent(in), optional  exact 
)
private

Initializes a specific restart object.

A restart object should only be used for one data type at a time. Note that the folder pwd, used to read/write some of the data is stored and can be changed by the functions restart_basic_open_dir() and restart_basic_close_dir().

Parameters
[out]restartRestart information
[in]data_typeRestart data type (RESTART_GS, RESTART_TD, etc)
[in]typeIs this restart used for dumping (type = RESTART_TYPE_DUMP) or for loading (type = RESTART_TYPE_LOAD)?
[in]mcThe multicommunicator in charge of handling this restart.
[out]ierrError code, if any. Required for LOAD, should not be present for DUMP.
[in]meshIf present, depending on the type of restart, the mesh information is either dumped or the mesh compatibility is checked.
[in]dirDirectory where to find the restart data. It is mandatory if data_type=RESTART_UNDEFINED and is ignored in all the other cases.
[in]exactIf loading the restart information, should the mesh be exactly the same or not?

Definition at line 705 of file restart.F90.

◆ restart_basic_end()

subroutine restart_oct_m::restart_basic_end ( class(restart_basic_t), intent(inout)  restart)
private

Definition at line 869 of file restart.F90.

◆ restart_end()

subroutine restart_oct_m::restart_end ( class(restart_t), intent(inout)  restart)
private

Definition at line 883 of file restart.F90.

◆ restart_basic_dir()

character(len=max_path_len) function restart_oct_m::restart_basic_dir ( class(restart_basic_t), intent(in)  restart)
private

Returns the name of the directory containing the restart information. The use of this function should be avoided, as the access to the restart data should always be done through this module, and it is only provided to allow some older parts of the code to keep functioning until someone fixes them.

Definition at line 917 of file restart.F90.

◆ restart_basic_open_dir()

subroutine restart_oct_m::restart_basic_open_dir ( class(restart_basic_t), intent(inout)  restart,
character(len=*), intent(in)  dirname,
integer, intent(out)  ierr 
)
private

Change the restart directory to dirname, where "dirname" is a subdirectory of the base restart directory.

Definition at line 932 of file restart.F90.

◆ restart_basic_close_dir()

subroutine restart_oct_m::restart_basic_close_dir ( class(restart_basic_t), intent(inout)  restart)
private

Change back to the base directory. To be called after restart_basic_open_dir.

Definition at line 966 of file restart.F90.

◆ restart_basic_mkdir()

subroutine restart_oct_m::restart_basic_mkdir ( class(restart_basic_t), intent(in)  restart,
character(len=*), intent(in)  dirname 
)
private

Make directory "dirname" inside the current restart directory.

Definition at line 981 of file restart.F90.

◆ restart_basic_rm()

subroutine restart_oct_m::restart_basic_rm ( class(restart_basic_t), intent(in)  restart,
character(len=*), intent(in)  name 
)
private

Remove directory or file "name" that is located inside the current restart directory.

Definition at line 999 of file restart.F90.

◆ restart_basic_open()

integer function restart_oct_m::restart_basic_open ( class(restart_basic_t), intent(in)  restart,
character(len=*), intent(in)  filename,
character(len=*), intent(in), optional  status,
character(len=*), intent(in), optional  position,
logical, intent(in), optional  silent 
)
private

Open file "filename" found inside the current restart directory. Depending on the type of restart, the file will be used for reading (RESTART_TYPE_LOAD), or for writing (RESTART_TYPE_DUMP). Note that this function only be used to open formatted files and that unformatted data should be accessed using the restart_*_binary subroutines.

Definition at line 1021 of file restart.F90.

◆ restart_basic_write()

subroutine restart_oct_m::restart_basic_write ( class(restart_basic_t), intent(in)  restart,
integer, intent(in)  iunit,
character(len=*), dimension(:), intent(in)  lines,
integer, intent(in)  nlines,
integer, intent(out)  ierr 
)
private

Definition at line 1069 of file restart.F90.

◆ restart_basic_read()

subroutine restart_oct_m::restart_basic_read ( class(restart_basic_t), intent(in)  restart,
integer, intent(in)  iunit,
character(len=*), dimension(:), intent(out)  lines,
integer, intent(in)  nlines,
integer, intent(out)  ierr 
)
private

Definition at line 1096 of file restart.F90.

◆ restart_basic_close()

subroutine restart_oct_m::restart_basic_close ( class(restart_basic_t), intent(in)  restart,
integer, intent(inout)  iunit 
)
private

Close a file previously opened with restart_basic_open.

Definition at line 1113 of file restart.F90.

◆ restart_basic_skip()

logical pure function restart_oct_m::restart_basic_skip ( class(restart_basic_t), intent(in)  restart)
private

Returns true if the restart information should neither be read nor written. This might happen because the user chose not to write any restart information, or because the restart information is not available for reading.

Definition at line 1132 of file restart.F90.

◆ restart_basic_has_flag()

logical pure function restart_oct_m::restart_basic_has_flag ( class(restart_basic_t), intent(in)  restart,
integer, intent(in)  flag 
)
private

Returns true if...

Definition at line 1142 of file restart.F90.

◆ restart_has_map()

logical pure function restart_oct_m::restart_has_map ( class(restart_t), intent(in)  restart)
private

Returns true if the restart was from a different order of mesh points.

Definition at line 1153 of file restart.F90.

◆ restart_basic_get_data_type()

integer pure function restart_oct_m::restart_basic_get_data_type ( class(restart_basic_t), intent(in)  restart)
private

Returns the data type of the restart.

Definition at line 1162 of file restart.F90.

◆ restart_basic_get_info()

character(:) function, allocatable restart_oct_m::restart_basic_get_info ( class(restart_basic_t), intent(in)  restart)
private

Definition at line 1168 of file restart.F90.

◆ restart_get_info()

character(:) function, allocatable restart_oct_m::restart_get_info ( class(restart_t), intent(in)  restart)
private

Definition at line 1177 of file restart.F90.

◆ drestart_write_mesh_function()

subroutine restart_oct_m::drestart_write_mesh_function ( class(restart_t), intent(in)  restart,
character(len=*), intent(in)  filename,
class(mesh_t), intent(in)  mesh,
real(real64), dimension(:), intent(in), target, contiguous  ff,
integer, intent(out)  ierr,
integer, dimension(:), intent(in), optional  root 
)
private
Parameters
[in]rootwhich process is going to write the data

Definition at line 1255 of file restart.F90.

◆ drestart_read_mesh_function()

subroutine restart_oct_m::drestart_read_mesh_function ( class(restart_t), intent(in)  restart,
character(len=*), intent(in)  filename,
class(mesh_t), intent(in)  mesh,
real(real64), dimension(:), intent(inout), target, contiguous  ff,
integer, intent(out)  ierr 
)
private

In domain parallel case each process reads a part of the file. At the end all the processes have the corresponding mesh part.

Definition at line 1336 of file restart.F90.

◆ drestart_write_binary1()

subroutine restart_oct_m::drestart_write_binary1 ( class(restart_t), intent(in)  restart,
character(len=*), intent(in)  filename,
integer(int64), intent(in)  np,
real(real64), dimension(:), intent(in), contiguous  ff,
integer, intent(out)  ierr,
integer, dimension(:), intent(in), optional  root 
)
private
Parameters
[in]rootwhich process is going to write the data

Definition at line 1432 of file restart.F90.

◆ drestart_write_binary2()

subroutine restart_oct_m::drestart_write_binary2 ( class(restart_t), intent(in)  restart,
character(len=*), intent(in)  filename,
integer(int64), intent(in)  np,
real(real64), dimension(:,:), intent(in)  ff,
integer, intent(out)  ierr,
integer, dimension(:), intent(in), optional  root 
)
private
Parameters
[in]rootwhich process is going to write the data

Definition at line 1474 of file restart.F90.

◆ drestart_write_binary3()

subroutine restart_oct_m::drestart_write_binary3 ( class(restart_t), intent(in)  restart,
character(len=*), intent(in)  filename,
integer(int64), intent(in)  np,
real(real64), dimension(:,:,:), intent(in)  ff,
integer, intent(out)  ierr,
integer, dimension(:), intent(in), optional  root 
)
private
Parameters
[in]rootwhich process is going to write the data

Definition at line 1516 of file restart.F90.

◆ drestart_write_binary5()

subroutine restart_oct_m::drestart_write_binary5 ( class(restart_t), intent(in)  restart,
character(len=*), intent(in)  filename,
integer(int64), intent(in)  np,
real(real64), dimension(:,:,:,:,:), intent(in)  ff,
integer, intent(out)  ierr,
integer, dimension(:), intent(in), optional  root 
)
private
Parameters
[in]rootwhich process is going to write the data

Definition at line 1558 of file restart.F90.

◆ drestart_read_binary1()

subroutine restart_oct_m::drestart_read_binary1 ( class(restart_t), intent(in)  restart,
character(len=*), intent(in)  filename,
integer(int64), intent(in)  np,
real(real64), dimension(:), intent(out)  ff,
integer, intent(out)  ierr 
)
private

Definition at line 1600 of file restart.F90.

◆ drestart_read_binary2()

subroutine restart_oct_m::drestart_read_binary2 ( class(restart_t), intent(in)  restart,
character(len=*), intent(in)  filename,
integer(int64), intent(in)  np,
real(real64), dimension(:,:), intent(out)  ff,
integer, intent(out)  ierr 
)
private

Definition at line 1628 of file restart.F90.

◆ drestart_read_binary3()

subroutine restart_oct_m::drestart_read_binary3 ( class(restart_t), intent(in)  restart,
character(len=*), intent(in)  filename,
integer(int64), intent(in)  np,
real(real64), dimension(:,:,:), intent(out)  ff,
integer, intent(out)  ierr 
)
private

Definition at line 1656 of file restart.F90.

◆ drestart_read_binary5()

subroutine restart_oct_m::drestart_read_binary5 ( class(restart_t), intent(in)  restart,
character(len=*), intent(in)  filename,
integer(int64), intent(in)  np,
real(real64), dimension(:,:,:,:,:), intent(out)  ff,
integer, intent(out)  ierr 
)
private

Definition at line 1683 of file restart.F90.

◆ drestart_write_binary1_int32()

subroutine restart_oct_m::drestart_write_binary1_int32 ( class(restart_t), intent(in)  restart,
character(len=*), intent(in)  filename,
integer, intent(in)  np,
real(real64), dimension(:), intent(in), contiguous  ff,
integer, intent(out)  ierr,
integer, dimension(:), intent(in), optional  root 
)
private
Parameters
[in]rootwhich process is going to write the data

Definition at line 1710 of file restart.F90.

◆ drestart_write_binary2_int32()

subroutine restart_oct_m::drestart_write_binary2_int32 ( class(restart_t), intent(in)  restart,
character(len=*), intent(in)  filename,
integer, intent(in)  np,
real(real64), dimension(:,:), intent(in)  ff,
integer, intent(out)  ierr,
integer, dimension(:), intent(in), optional  root 
)
private
Parameters
[in]rootwhich process is going to write the data

Definition at line 1724 of file restart.F90.

◆ drestart_write_binary3_int32()

subroutine restart_oct_m::drestart_write_binary3_int32 ( class(restart_t), intent(in)  restart,
character(len=*), intent(in)  filename,
integer, intent(in)  np,
real(real64), dimension(:,:,:), intent(in)  ff,
integer, intent(out)  ierr,
integer, dimension(:), intent(in), optional  root 
)
private
Parameters
[in]rootwhich process is going to write the data

Definition at line 1738 of file restart.F90.

◆ drestart_write_binary5_int32()

subroutine restart_oct_m::drestart_write_binary5_int32 ( class(restart_t), intent(in)  restart,
character(len=*), intent(in)  filename,
integer, intent(in)  np,
real(real64), dimension(:,:,:,:,:), intent(in)  ff,
integer, intent(out)  ierr,
integer, dimension(:), intent(in), optional  root 
)
private
Parameters
[in]rootwhich process is going to write the data

Definition at line 1752 of file restart.F90.

◆ drestart_read_binary1_int32()

subroutine restart_oct_m::drestart_read_binary1_int32 ( class(restart_t), intent(in)  restart,
character(len=*), intent(in)  filename,
integer, intent(in)  np,
real(real64), dimension(:), intent(out)  ff,
integer, intent(out)  ierr 
)
private

Definition at line 1766 of file restart.F90.

◆ drestart_read_binary2_int32()

subroutine restart_oct_m::drestart_read_binary2_int32 ( class(restart_t), intent(in)  restart,
character(len=*), intent(in)  filename,
integer, intent(in)  np,
real(real64), dimension(:,:), intent(out)  ff,
integer, intent(out)  ierr 
)
private

Definition at line 1780 of file restart.F90.

◆ drestart_read_binary3_int32()

subroutine restart_oct_m::drestart_read_binary3_int32 ( class(restart_t), intent(in)  restart,
character(len=*), intent(in)  filename,
integer, intent(in)  np,
real(real64), dimension(:,:,:), intent(out)  ff,
integer, intent(out)  ierr 
)
private

Definition at line 1794 of file restart.F90.

◆ drestart_read_binary5_int32()

subroutine restart_oct_m::drestart_read_binary5_int32 ( class(restart_t), intent(in)  restart,
character(len=*), intent(in)  filename,
integer, intent(in)  np,
real(real64), dimension(:,:,:,:,:), intent(out)  ff,
integer, intent(out)  ierr 
)
private

Definition at line 1807 of file restart.F90.

◆ zrestart_write_mesh_function()

subroutine restart_oct_m::zrestart_write_mesh_function ( class(restart_t), intent(in)  restart,
character(len=*), intent(in)  filename,
class(mesh_t), intent(in)  mesh,
complex(real64), dimension(:), intent(in), target, contiguous  ff,
integer, intent(out)  ierr,
integer, dimension(:), intent(in), optional  root 
)
private
Parameters
[in]rootwhich process is going to write the data

Definition at line 1895 of file restart.F90.

◆ zrestart_read_mesh_function()

subroutine restart_oct_m::zrestart_read_mesh_function ( class(restart_t), intent(in)  restart,
character(len=*), intent(in)  filename,
class(mesh_t), intent(in)  mesh,
complex(real64), dimension(:), intent(inout), target, contiguous  ff,
integer, intent(out)  ierr 
)
private

In domain parallel case each process reads a part of the file. At the end all the processes have the corresponding mesh part.

Definition at line 1976 of file restart.F90.

◆ zrestart_write_binary1()

subroutine restart_oct_m::zrestart_write_binary1 ( class(restart_t), intent(in)  restart,
character(len=*), intent(in)  filename,
integer(int64), intent(in)  np,
complex(real64), dimension(:), intent(in), contiguous  ff,
integer, intent(out)  ierr,
integer, dimension(:), intent(in), optional  root 
)
private
Parameters
[in]rootwhich process is going to write the data

Definition at line 2072 of file restart.F90.

◆ zrestart_write_binary2()

subroutine restart_oct_m::zrestart_write_binary2 ( class(restart_t), intent(in)  restart,
character(len=*), intent(in)  filename,
integer(int64), intent(in)  np,
complex(real64), dimension(:,:), intent(in)  ff,
integer, intent(out)  ierr,
integer, dimension(:), intent(in), optional  root 
)
private
Parameters
[in]rootwhich process is going to write the data

Definition at line 2114 of file restart.F90.

◆ zrestart_write_binary3()

subroutine restart_oct_m::zrestart_write_binary3 ( class(restart_t), intent(in)  restart,
character(len=*), intent(in)  filename,
integer(int64), intent(in)  np,
complex(real64), dimension(:,:,:), intent(in)  ff,
integer, intent(out)  ierr,
integer, dimension(:), intent(in), optional  root 
)
private
Parameters
[in]rootwhich process is going to write the data

Definition at line 2156 of file restart.F90.

◆ zrestart_write_binary5()

subroutine restart_oct_m::zrestart_write_binary5 ( class(restart_t), intent(in)  restart,
character(len=*), intent(in)  filename,
integer(int64), intent(in)  np,
complex(real64), dimension(:,:,:,:,:), intent(in)  ff,
integer, intent(out)  ierr,
integer, dimension(:), intent(in), optional  root 
)
private
Parameters
[in]rootwhich process is going to write the data

Definition at line 2198 of file restart.F90.

◆ zrestart_read_binary1()

subroutine restart_oct_m::zrestart_read_binary1 ( class(restart_t), intent(in)  restart,
character(len=*), intent(in)  filename,
integer(int64), intent(in)  np,
complex(real64), dimension(:), intent(out)  ff,
integer, intent(out)  ierr 
)
private

Definition at line 2240 of file restart.F90.

◆ zrestart_read_binary2()

subroutine restart_oct_m::zrestart_read_binary2 ( class(restart_t), intent(in)  restart,
character(len=*), intent(in)  filename,
integer(int64), intent(in)  np,
complex(real64), dimension(:,:), intent(out)  ff,
integer, intent(out)  ierr 
)
private

Definition at line 2268 of file restart.F90.

◆ zrestart_read_binary3()

subroutine restart_oct_m::zrestart_read_binary3 ( class(restart_t), intent(in)  restart,
character(len=*), intent(in)  filename,
integer(int64), intent(in)  np,
complex(real64), dimension(:,:,:), intent(out)  ff,
integer, intent(out)  ierr 
)
private

Definition at line 2296 of file restart.F90.

◆ zrestart_read_binary5()

subroutine restart_oct_m::zrestart_read_binary5 ( class(restart_t), intent(in)  restart,
character(len=*), intent(in)  filename,
integer(int64), intent(in)  np,
complex(real64), dimension(:,:,:,:,:), intent(out)  ff,
integer, intent(out)  ierr 
)
private

Definition at line 2323 of file restart.F90.

◆ zrestart_write_binary1_int32()

subroutine restart_oct_m::zrestart_write_binary1_int32 ( class(restart_t), intent(in)  restart,
character(len=*), intent(in)  filename,
integer, intent(in)  np,
complex(real64), dimension(:), intent(in), contiguous  ff,
integer, intent(out)  ierr,
integer, dimension(:), intent(in), optional  root 
)
private
Parameters
[in]rootwhich process is going to write the data

Definition at line 2350 of file restart.F90.

◆ zrestart_write_binary2_int32()

subroutine restart_oct_m::zrestart_write_binary2_int32 ( class(restart_t), intent(in)  restart,
character(len=*), intent(in)  filename,
integer, intent(in)  np,
complex(real64), dimension(:,:), intent(in)  ff,
integer, intent(out)  ierr,
integer, dimension(:), intent(in), optional  root 
)
private
Parameters
[in]rootwhich process is going to write the data

Definition at line 2364 of file restart.F90.

◆ zrestart_write_binary3_int32()

subroutine restart_oct_m::zrestart_write_binary3_int32 ( class(restart_t), intent(in)  restart,
character(len=*), intent(in)  filename,
integer, intent(in)  np,
complex(real64), dimension(:,:,:), intent(in)  ff,
integer, intent(out)  ierr,
integer, dimension(:), intent(in), optional  root 
)
private
Parameters
[in]rootwhich process is going to write the data

Definition at line 2378 of file restart.F90.

◆ zrestart_write_binary5_int32()

subroutine restart_oct_m::zrestart_write_binary5_int32 ( class(restart_t), intent(in)  restart,
character(len=*), intent(in)  filename,
integer, intent(in)  np,
complex(real64), dimension(:,:,:,:,:), intent(in)  ff,
integer, intent(out)  ierr,
integer, dimension(:), intent(in), optional  root 
)
private
Parameters
[in]rootwhich process is going to write the data

Definition at line 2392 of file restart.F90.

◆ zrestart_read_binary1_int32()

subroutine restart_oct_m::zrestart_read_binary1_int32 ( class(restart_t), intent(in)  restart,
character(len=*), intent(in)  filename,
integer, intent(in)  np,
complex(real64), dimension(:), intent(out)  ff,
integer, intent(out)  ierr 
)
private

Definition at line 2406 of file restart.F90.

◆ zrestart_read_binary2_int32()

subroutine restart_oct_m::zrestart_read_binary2_int32 ( class(restart_t), intent(in)  restart,
character(len=*), intent(in)  filename,
integer, intent(in)  np,
complex(real64), dimension(:,:), intent(out)  ff,
integer, intent(out)  ierr 
)
private

Definition at line 2420 of file restart.F90.

◆ zrestart_read_binary3_int32()

subroutine restart_oct_m::zrestart_read_binary3_int32 ( class(restart_t), intent(in)  restart,
character(len=*), intent(in)  filename,
integer, intent(in)  np,
complex(real64), dimension(:,:,:), intent(out)  ff,
integer, intent(out)  ierr 
)
private

Definition at line 2434 of file restart.F90.

◆ zrestart_read_binary5_int32()

subroutine restart_oct_m::zrestart_read_binary5_int32 ( class(restart_t), intent(in)  restart,
character(len=*), intent(in)  filename,
integer, intent(in)  np,
complex(real64), dimension(:,:,:,:,:), intent(out)  ff,
integer, intent(out)  ierr 
)
private

Definition at line 2447 of file restart.F90.

Variable Documentation

◆ restart_n_data_types

integer, parameter restart_oct_m::restart_n_data_types = 14
private

The data_types refer mainly to the run-mode of the calculation.

Definition at line 154 of file restart.F90.

◆ restart_undefined

integer, parameter, public restart_oct_m::restart_undefined = -1

Definition at line 156 of file restart.F90.

◆ restart_all

integer, parameter, public restart_oct_m::restart_all = 0

Definition at line 156 of file restart.F90.

◆ restart_gs

integer, parameter, public restart_oct_m::restart_gs = 1

Definition at line 156 of file restart.F90.

◆ restart_unocc

integer, parameter, public restart_oct_m::restart_unocc = 2

Definition at line 156 of file restart.F90.

◆ restart_td

integer, parameter, public restart_oct_m::restart_td = 3

Definition at line 156 of file restart.F90.

◆ restart_em_resp

integer, parameter, public restart_oct_m::restart_em_resp = 4

Definition at line 156 of file restart.F90.

◆ restart_em_resp_fd

integer, parameter, public restart_oct_m::restart_em_resp_fd = 5

Definition at line 156 of file restart.F90.

◆ restart_kdotp

integer, parameter, public restart_oct_m::restart_kdotp = 6

Definition at line 156 of file restart.F90.

◆ restart_vib_modes

integer, parameter, public restart_oct_m::restart_vib_modes = 7

Definition at line 156 of file restart.F90.

◆ restart_vdw

integer, parameter, public restart_oct_m::restart_vdw = 8

Definition at line 156 of file restart.F90.

◆ restart_casida

integer, parameter, public restart_oct_m::restart_casida = 9

Definition at line 156 of file restart.F90.

◆ restart_oct

integer, parameter, public restart_oct_m::restart_oct = 10

Definition at line 156 of file restart.F90.

◆ restart_partition

integer, parameter, public restart_oct_m::restart_partition = 11

Definition at line 156 of file restart.F90.

◆ restart_proj

integer, parameter, public restart_oct_m::restart_proj = 12

Definition at line 156 of file restart.F90.

◆ restart_iteration

integer, parameter, public restart_oct_m::restart_iteration = 13

Definition at line 156 of file restart.F90.

◆ restart_custom

integer, parameter, public restart_oct_m::restart_custom = 14

Definition at line 156 of file restart.F90.

◆ restart_type_dump

integer, parameter, public restart_oct_m::restart_type_dump = 1

Definition at line 183 of file restart.F90.

◆ restart_type_load

integer, parameter, public restart_oct_m::restart_type_load = 2

Definition at line 183 of file restart.F90.

◆ restart_flag_states

integer, parameter, public restart_oct_m::restart_flag_states = 1

For each data type, we can write different information into the restart file, which are selected by the restart flags:

Definition at line 188 of file restart.F90.

◆ restart_flag_rho

integer, parameter, public restart_oct_m::restart_flag_rho = 2

Definition at line 188 of file restart.F90.

◆ restart_flag_vhxc

integer, parameter, public restart_oct_m::restart_flag_vhxc = 4

Definition at line 188 of file restart.F90.

◆ restart_flag_mix

integer, parameter, public restart_oct_m::restart_flag_mix = 8

Definition at line 188 of file restart.F90.

◆ restart_flag_skip

integer, parameter, public restart_oct_m::restart_flag_skip = 16

Definition at line 188 of file restart.F90.

◆ restart_flag_literal

integer, parameter, public restart_oct_m::restart_flag_literal = 32

Definition at line 188 of file restart.F90.

◆ type_string

character(len=4), dimension(2), parameter restart_oct_m::type_string = (/ "DUMP", "LOAD"/)
private

Definition at line 206 of file restart.F90.

◆ basic_info

type(restart_basic_data_t), dimension(restart_undefined:restart_n_data_types), parameter restart_oct_m::basic_info = [ restart_basic_data_t("Undefined", ""), restart_basic_data_t("All", ""), restart_basic_data_t("Ground-state", GS_DIR), restart_basic_data_t("Unoccupied states", GS_DIR), restart_basic_data_t("Time-dependent", TD_DIR), restart_basic_data_t("EM Resp.", EM_RESP_DIR), restart_basic_data_t("EM Resp. FD", EM_RESP_FD_DIR), restart_basic_data_t("KdotP", KDOTP_DIR), restart_basic_data_t("Vib. Modes", VIB_MODES_DIR), restart_basic_data_t("VdW", VDW_DIR), restart_basic_data_t("Casida", CASIDA_DIR), restart_basic_data_t("Optimal Control", OCT_DIR), restart_basic_data_t("Mesh Partition", PARTITION_DIR, RESTART_FLAG_SKIP), restart_basic_data_t("GS for TDOutput", GS_DIR), restart_basic_data_t("Iteration counter", ITERATION_DIR), restart_basic_data_t("Custom data", "") ]
private

Information about the components for a given system.

These information build the template for constructing the actual restart paths for each object

Definition at line 296 of file restart.F90.