|
logical,
|
public |
|
:: |
TQUADRHO |
|
|
|
|
logical,
|
public |
|
:: |
TEXPRHO |
|
|
|
|
logical,
|
public |
|
:: |
THFBASIS |
|
|
|
|
logical,
|
public |
|
:: |
THFCALC |
|
|
|
|
logical,
|
public |
|
:: |
TCALCREALPROD |
|
|
|
|
logical,
|
public |
|
:: |
TRHF |
|
|
|
|
logical,
|
public |
|
:: |
TReadTUMat |
|
|
|
|
logical,
|
public |
|
:: |
TReadHF |
|
|
|
|
logical,
|
public |
|
:: |
TQuadValMax |
|
|
|
|
logical,
|
public |
|
:: |
TQuadVecMax |
|
|
|
|
logical,
|
public |
|
:: |
TSUMPROD |
|
|
|
|
logical,
|
public |
|
:: |
TCALCRHOPROD |
|
|
|
|
logical,
|
public |
|
:: |
TDISCONODES |
|
|
|
|
logical,
|
public |
|
:: |
TCalcExcitStar |
|
|
|
|
logical,
|
public |
|
:: |
TJustQuads |
|
|
|
|
logical,
|
public |
|
:: |
TNoDoubs |
|
|
|
|
logical,
|
public |
|
:: |
TDiagStarStars |
|
|
|
|
logical,
|
public |
|
:: |
TExcitStarsRootChange |
|
|
|
|
logical,
|
public |
|
:: |
TRmRootExcitStarsRootChange |
|
|
|
|
logical,
|
public |
|
:: |
TLinRootChange |
|
|
|
|
logical,
|
public |
|
:: |
tPartFreezeCore |
|
|
|
|
logical,
|
public |
|
:: |
tPartFreezeVirt |
|
|
|
|
integer,
|
public |
|
:: |
NTAY(2) |
|
|
|
|
integer,
|
public |
|
:: |
nHFit |
|
|
|
|
integer,
|
public |
|
:: |
NFROZEN |
|
|
|
|
integer,
|
public |
|
:: |
NTFROZEN |
|
|
|
|
integer,
|
public |
|
:: |
NFROZENIN |
|
|
|
|
integer,
|
public |
|
:: |
NTFROZENIN |
|
|
|
|
integer,
|
public |
|
:: |
NRSTEPSMAX |
|
|
|
|
integer,
|
public |
|
:: |
IHFMETHOD |
|
|
|
|
integer,
|
public |
|
:: |
NPartFrozen |
|
|
|
|
integer,
|
public |
|
:: |
NHolesFrozen |
|
|
|
|
integer,
|
public |
|
:: |
NVirtPartFrozen |
|
|
|
|
integer,
|
public |
|
:: |
NElVirtFrozen |
|
|
|
|
real(kind=dp),
|
public |
|
:: |
NRCONV |
|
|
|
|
real(kind=dp),
|
public |
|
:: |
RFCONV |
|
|
|
|
real(kind=dp),
|
public |
|
:: |
OrbOrder2(8) |
|
|
|
|
real(kind=dp),
|
public |
|
:: |
HFMix |
|
|
|
|
real(kind=dp),
|
public |
|
:: |
HFEDelta |
|
|
|
|
real(kind=dp),
|
public |
|
:: |
HFCDelta |
|
|
|
|
real(kind=dp),
|
public |
|
:: |
HFRand |
|
|
|
|
real(kind=dp),
|
public |
|
:: |
DMatEpsilon |
|
|
|
|
logical,
|
public |
|
:: |
tPostFreezeHF |
|
|
|
|
logical,
|
public |
|
:: |
tDumpFCIDUMP |
|
|
|
|
logical,
|
public |
|
:: |
t_use_tchint_lib |
= |
.false. |
|
|
character(len=50),
|
public |
|
:: |
tchint_mode |
|
|
|
|
real(kind=dp),
|
public, |
pointer
|
:: |
UMAT(:) |
|
|
|
|
integer(kind=MPIArg),
|
public |
|
:: |
umat_win |
|
|
|
|
integer(kind=TagIntType),
|
public |
|
:: |
tagUMat |
= |
0 |
|
|
complex(kind=dp),
|
public, |
pointer
|
:: |
FCK(:) |
=> |
null() |
|
|
integer(kind=TagIntType),
|
public |
|
:: |
tagFCK |
= |
0 |
|
|
integer,
|
public |
|
:: |
NMAX |
|
|
|
|
real(kind=dp),
|
public |
|
:: |
CST |
|
|
|
|
real(kind=dp),
|
public |
|
:: |
ChemPot |
|
|
|
|
logical,
|
public |
|
:: |
tNeedsVirts |
|
|
|
|
logical,
|
public |
|
:: |
t_rs_factors |
= |
.false. |
|
|
logical,
|
public |
|
:: |
t_hash_lmat_calc |
= |
.true. |
|
|
integer,
|
public |
|
:: |
nel_pre_freezing |
|
|
|
|
integer,
|
public, |
allocatable
|
:: |
frozen_orb_list(:) |
|
|
|
|
integer,
|
public, |
allocatable
|
:: |
frozen_orb_reverse_map(:) |
|
|
|
|
integer(kind=TagIntType),
|
public |
|
:: |
tagFrozen |
= |
0 |
|
|
integer(kind=TagIntType),
|
public |
|
:: |
tagFrozenMap |
= |
0 |
|