LCPQ/quantum_package
10
0
Fork 0
mirror of https://github.com/LCPQ/quantum_package synced 2024-12-22 20:35:19 +01:00
Code Issues Releases Wiki Activity

Bitmasks documentation

Browse Source
This commit is contained in:
Anthony Scemama 2015-03-02 10:32:04 +01:00
parent fa725b305e
commit 7a71170f5f
2 changed files with 18 additions and 6 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

15
src/Bitmask/bitmasks.irp.f
View File

@ -100,14 +100,23 @@ END_PROVIDER
BEGIN_PROVIDER [ integer(bit_kind), generators_bitmask, (N_int,2,6,N_generators_bitmask) ]
implicit none
BEGIN_DOC
! Bitmasks for generator determinants. (N_int, alpha/beta, hole/particle, generator).
! Bitmasks for generator determinants.
! (N_int, alpha/beta, hole/particle, generator).
!
! 3rd index is :
!
! * 1 : hole for single exc
!
! * 2 : particle for single exc
!
! * 3 : hole for 1st exc of double
!
! * 4 : particle for 1st exc of double
! * 5 : hole for 2dn exc of double
! * 6 : particle for 2dn exc of double
!
! * 5 : hole for 2nd exc of double
!
! * 6 : particle for 2nd exc of double
!
END_DOC
logical :: exists
PROVIDE ezfio_filename

9
src/Bitmask/bitmasks_routines.irp.f
View File

@ -38,15 +38,18 @@ subroutine list_to_bitstring( string, list, n_elements, Nint)
integer :: i, j
integer :: ipos, iint
BEGIN_DOC
! return the physical string "string(N_int,2)" from the array of occupations "list(N_int*bit_kind_size,2)
! list
! Returnd the physical string "string(N_int,2)" from the array of
! occupations "list(N_int*bit_kind_size,2)
END_DOC
!
! <== ipos ==>
! |
! v
!string :|------------------------|-------------------------|------------------------|
! <==== bit_kind_size ====> <==== bit_kind_size ====> <==== bit_kind_size ====>
! { iint } { iint } { iint }
END_DOC
!
string = 0_bit_kind