|
| procedure(check_intf), deferred | check (this) |
| | Returns 0 if the type-bound parameters are consistent. Returns a non-zero value if an error in the parameters has been found.
|
| procedure(normalize_intf), deferred | normalize (this) |
| | Calculates the value of norm.
|
| procedure(read_intf), deferred | read (this, lunit, posit, pos_after_rw, version) |
| | Read-in the data for the basis function from a file. The file is assumed to be open for stream access. The input data are unit number and position in the file where the data start.
|
| procedure(write_intf), deferred | write (this, lunit, posit, pos_after_rw) |
| | Writes the data for the basis function into a file. The file is assumed to be open for stream access. The input data are unit number and position in the file where the data should be written.
|
| procedure(print_intf), deferred | print (this) |
| | Prints the shell data to the unit for standard output.
|
| procedure(eval_intf), deferred | eval (this, r, n_points) |
| | Evaluates the shell of functions at an arbitrary point in space.
|
| procedure(name_intf), deferred | name (this) |
| | Returns unique name characterizing the type of the shell of functions.
|
|
| real(kind=cfp) | norm = 0.0_cfp |
| | Normalization factor for the shell (this is typically independent of the m angular number).
|
| integer | number_of_functions = 0 |
| | Total number of functions generated by this shell.
|
◆ check()
Returns 0 if the type-bound parameters are consistent. Returns a non-zero value if an error in the parameters has been found.
◆ eval()
| procedure(eval_intf), deferred basis_data_generic_gbl::shell_data_obj::eval |
( |
class(shell_data_obj) | this, |
|
|
real(kind=cfp), dimension(1:3,n_points), intent(in) | r, |
|
|
integer | n_points ) |
|
pure virtual |
Evaluates the shell of functions at an arbitrary point in space.
◆ name()
| procedure(name_intf), deferred basis_data_generic_gbl::shell_data_obj::name |
( |
class(shell_data_obj) | this | ) |
|
|
pure virtual |
Returns unique name characterizing the type of the shell of functions.
◆ normalize()
| procedure(normalize_intf), deferred basis_data_generic_gbl::shell_data_obj::normalize |
( |
class(shell_data_obj) | this | ) |
|
|
pure virtual |
Calculates the value of norm.
◆ print()
| procedure(print_intf), deferred basis_data_generic_gbl::shell_data_obj::print |
( |
class(shell_data_obj) | this | ) |
|
|
pure virtual |
Prints the shell data to the unit for standard output.
◆ read()
| procedure(read_intf), deferred basis_data_generic_gbl::shell_data_obj::read |
( |
class(shell_data_obj) | this, |
|
|
integer, intent(in) | lunit, |
|
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integer, intent(in) | posit, |
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integer, intent(out) | pos_after_rw, |
|
|
character(len=line_len), intent(in) | version ) |
|
pure virtual |
Read-in the data for the basis function from a file. The file is assumed to be open for stream access. The input data are unit number and position in the file where the data start.
◆ write()
| procedure(write_intf), deferred basis_data_generic_gbl::shell_data_obj::write |
( |
class(shell_data_obj) | this, |
|
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integer, intent(in) | lunit, |
|
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integer, intent(in) | posit, |
|
|
integer, intent(out) | pos_after_rw ) |
|
pure virtual |
Writes the data for the basis function into a file. The file is assumed to be open for stream access. The input data are unit number and position in the file where the data should be written.
◆ norm
| real(kind=cfp) basis_data_generic_gbl::shell_data_obj::norm = 0.0_cfp |
Normalization factor for the shell (this is typically independent of the m angular number).
◆ number_of_functions
| integer basis_data_generic_gbl::shell_data_obj::number_of_functions = 0 |
Total number of functions generated by this shell.
The documentation for this type was generated from the following file:
1.14.0