MPI-SCATCI  2.0
An MPI version of SCATCI
BaseIntegral_module.f90 File Reference

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Data Types

type  baseintegral_module::baseintegral
 
interface  baseintegral_module::generic_initialize
 
interface  baseintegral_module::generic_finalize
 
interface  baseintegral_module::generic_load
 
interface  baseintegral_module::generic_get
 
interface  baseintegral_module::generic_geometries
 
interface  baseintegral_module::generic_destroy
 

Modules

module  baseintegral_module
 Base integral module.
 

Functions/Subroutines

subroutine baseintegral_module::initialize_base (this, option, num_orbitals, mapping)
 Initialize the class. More...
 
subroutine baseintegral_module::finalize_base (this)
 Finalize the class. More...
 
subroutine baseintegral_module::base_write_header (this, matrix_io, matrix_size)
 Write data file header. More...
 
real(wp) function baseintegral_module::get_integralf (this, integral)
 Retrieve integral value. More...
 
real(wp) function baseintegral_module::get_core_energy (this)
 Retrieve integral value. More...
 
integer function baseintegral_module::get_num_nuclei (this)
 Retrieve integral value. More...