Types, routines and global variables for RCI. More...
Functions/Subroutines | |
| subroutine | init_rkintc (j2max) |
| Initializes the global state for the RK integrals, i.e. DC matrix elements. More... | |
Variables | |
| integer | res_unit = -1 |
I/O unit of the .res file. More... | |
| integer | setype |
| real(real64), dimension(nnnw, nnnw) | sematrix |
Detailed Description
Types, routines and global variables for RCI.
Function/Subroutine Documentation
◆ init_rkintc()
| subroutine grasp_rciqed::init_rkintc | ( | integer, intent(inout) | j2max | ) |
Initializes the global state for the RK integrals, i.e. DC matrix elements.
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Variable Documentation
◆ res_unit
| integer grasp_rciqed::res_unit = -1 |
I/O unit of the .res file.
The default value is -1, so that it would not be possible to confuse this with any other open unit (negative unit number are generally not allowed and newunit= never returns a -1; i.e. it is never possible to write to unit = -1).
◆ sematrix
| real(real64), dimension(nnnw,nnnw) grasp_rciqed::sematrix |
◆ setype
| integer grasp_rciqed::setype |
