mirror of
https://github.com/TREX-CoE/irpjast.git
synced 2024-07-22 18:57:41 +02:00
27 lines
852 B
C
27 lines
852 B
C
c MELEC >= number of electrons
|
|
c MORB >= number of orbitals
|
|
c MBASIS >= number of basis functions
|
|
c MDET >= number of determinants
|
|
c MCENT >= number of centers
|
|
c MCTYPE >= number of center types
|
|
c MCTYP3X=max(3,MCTYPE)
|
|
|
|
c Slater matrices are dimensioned (MELEC/2)**2 assuming
|
|
c equal numbers of up and down spins. MELEC has to be
|
|
c correspondingly larger if spin polarized calculations
|
|
c are attempted.
|
|
|
|
integer MELEC,MORB,MBASIS,MDET,MCENT,MCTYPE,MCTYP3X,
|
|
&NSPLIN,nrad,MORDJ,MORDJ1,MMAT_DIM,MMAT_DIM2
|
|
|
|
real*8 radmax,delri
|
|
|
|
character*20 method
|
|
|
|
parameter(MELEC=50,MORB=550,MBASIS=550,MDET=15000,MCENT=20,
|
|
&MCTYP3X=5,NSPLIN=1001,MORDJ=7,radmax=10.d0,nrad=3001,MCTYPE=3,
|
|
&MMAT_DIM=(MELEC*MELEC)/4,MMAT_DIM2=(MELEC*(MELEC-1))/2,
|
|
&MORDJ1=MORDJ+1,delri=(nrad-1)/radmax)
|
|
|
|
common /method_opt/ method
|