LCPQ/qmcchem
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Removed dead code

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This commit is contained in:
Anthony Scemama 2016-01-14 17:07:59 +01:00
parent d878b5d33b
commit 55d3c7b68a
3 changed files with 1 additions and 51 deletions
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1
ocaml/.gitignore vendored
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@ -1,6 +1,7 @@
*.cmi *.cmi
*.cmx *.cmx
*.o *.o
*.cmo
ezfio.ml ezfio.ml
Qptypes.ml Qptypes.ml
.ls_md5 .ls_md5

2
src/SAMPLING/dmc_step.irp.f
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@ -135,7 +135,6 @@ for p in properties:
END_SHELL END_SHELL
! Brownian step
double precision :: p,q double precision :: p,q
real :: delta_x real :: delta_x
logical :: accepted logical :: accepted
@ -299,7 +298,6 @@ BEGIN_PROVIDER [ double precision, pop_weight, (0:dmc_projection+1) ]
! Population weight of DMC ! Population weight of DMC
END_DOC END_DOC
pop_weight = 1.d0 pop_weight = 1.d0
pop_weight(dmc_projection) = 1.d0/dble(size(pop_weight))
END_PROVIDER END_PROVIDER
BEGIN_PROVIDER [ integer, trapped_walk, (walk_num_8) ] BEGIN_PROVIDER [ integer, trapped_walk, (walk_num_8) ]

49
src/SAMPLING/reconfigure.irp.f
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@ -1,52 +1,3 @@
subroutine reconfigure_old(ipos,w)
implicit none
integer, intent(inout) :: ipos(walk_num)
double precision, intent(in) :: w(walk_num)
integer :: kptab(walk_num), kmtab(walk_num)
double precision :: wp(walk_num), wm(walk_num)
double precision :: tmp
integer :: k, l
double precision :: qmc_ranf, rand
integer :: ipos_tmp(walk_num*2)
l=0
do k=1,walk_num
tmp = w(k)-1.d0
rand = qmc_ranf()
if (tmp >= 0.d0) then
l=l+1
ipos_tmp(l) = k
if (rand < tmp) then
l=l+1
ipos_tmp(l) = k
endif
else
if (rand > -tmp) then
l=l+1
ipos_tmp(l) = k
endif
endif
enddo
if (l>walk_num) then
do k=l,walk_num+1,-1
rand = qmc_ranf() * dble(walk_num)
ipos_tmp(int(rand)+1) = ipos_tmp(k)
enddo
else
do k=l+1,walk_num
rand = qmc_ranf() * dble(k-1)
ipos_tmp(k) = ipos_tmp(int(rand)+1)
enddo
endif
do k=1,walk_num
ipos(k) = ipos_tmp(k)
enddo
end
subroutine reconfigure(ipos,w) subroutine reconfigure(ipos,w)
implicit none implicit none
integer, intent(inout) :: ipos(*) integer, intent(inout) :: ipos(*)