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clean up variables
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aoterodelaroza committed May 2, 2024
1 parent 032f779 commit 2f9a84d
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Showing 4 changed files with 9 additions and 14 deletions.
10 changes: 3 additions & 7 deletions src/[email protected]
Original file line number Diff line number Diff line change
Expand Up @@ -744,16 +744,12 @@ module subroutine find_asterisms_covalent(c)
use global, only: bondfactor
use tools_io, only: string
use types, only: realloc, celatom
use param, only: atmcov, icrd_crys
use param, only: atmcov
class(crystal), intent(inout) :: c

integer :: i, j, jj, nx(3), i0shift(3), i1shift(3)
integer :: i, j, nx(3), i0shift(3), i1shift(3)
real*8 :: ri, rj, dmax, dd, xi(3), xj(3), xdelta(3)
real*8 :: xxi(3), xxj(3)
integer :: is, js
real*8, allocatable :: rij2(:,:,:), dist(:)
integer :: nat
integer, allocatable :: eid(:), lvec(:,:)
real*8, allocatable :: rij2(:,:,:)
integer :: iblock_stride
integer :: ix, iy, iz, jx, jy, jz, iid, jid, iidx(3), jidx(3)
integer :: iat, jat, iaux(3), lvecx(3)
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4 changes: 2 additions & 2 deletions src/[email protected]
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Expand Up @@ -150,14 +150,14 @@ module subroutine struct_new(c,seed,crashfail,noenv,ti)
use tools_io, only: ferror, faterr, zatguess, string
use tools, only: wscell, qcksort
use types, only: realloc
use param, only: pi, eyet, eye, icrd_cart
use param, only: pi, eyet, eye
class(crystal), intent(inout) :: c
type(crystalseed), intent(in) :: seed
logical, intent(in) :: crashfail
logical, intent(in), optional :: noenv
type(thread_info), intent(in), optional :: ti

real*8 :: g(3,3), xmax(3), xmin(3), xcm(3), dist, border, xx(3)
real*8 :: g(3,3), xmax(3), xmin(3), xcm(3), border, xx(3)
logical :: good, good2, clearsym, doenv
integer :: i, j, k, l, iat, newmult
real*8, allocatable :: atpos(:,:), area(:), xcoord(:)
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6 changes: 2 additions & 4 deletions src/[email protected]
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Expand Up @@ -671,10 +671,8 @@ module subroutine read_fplo(f,cptr,file,x2c,errmsg,ti)
type(thread_info), intent(in), optional :: ti

logical :: ok
integer :: luc, nspin, istat
integer :: i, ix, iy, iz, n(3), ll, lp
real*8 :: r(3,3)
real*4, allocatable :: g(:)
integer :: luc, istat
integer :: ix, iy, iz, n(3), ll, lp
character(len=:), allocatable :: line

errmsg = "Error reading file"
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3 changes: 2 additions & 1 deletion src/[email protected]
Original file line number Diff line number Diff line change
Expand Up @@ -1270,8 +1270,9 @@ end subroutine read_wfx

!> Read the wavefunction from a Gaussian formatted checkpoint file (fchk)
module subroutine read_fchk(f,cptr,file,readvirtual,errmsg,ti)
use tools_io, only: fopen_read, getline_raw, isinteger, ferror, warning, fclose
use tools_io, only: fopen_read, getline_raw, isinteger, ferror, fclose
#ifdef HAVE_CINT
use tools_io, only: warning
use iso_c_binding, only: c_f_pointer
use crystalmod, only: crystal
use param, only: sqpi
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