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(#318) Cleaned up unused variables
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* Removed unused variables.
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Nick-Chaos authored and fedepedron committed Nov 29, 2019
1 parent 1bb3c58 commit 9afd9f7
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Showing 36 changed files with 67 additions and 106 deletions.
32 changes: 9 additions & 23 deletions lioamber/SCF.f90
Original file line number Diff line number Diff line change
Expand Up @@ -27,25 +27,23 @@ subroutine SCF(E)
!
!%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%!
use ehrensubs , only: ehrendyn_init
use garcha_mod, only : NCO, natom, Nang, number_restr, hybrid_converg, MEMO,&
use garcha_mod, only : NCO, natom, number_restr, hybrid_converg, MEMO, &
igrid, energy_freq, converge, noconverge, lowdin, &
cubegen_only, VCINP, primera, Nunp, GOLD, igrid2, &
predcoef, nsol, r, pc, DIIS, told, Etold, Enucl, Iz, &
Eorbs, NMAX,Dbug, doing_ehrenfest, first_step, &
total_time, MO_coef_at, MO_coef_at_b, Smat, good_cut,&
nsol, r, pc, DIIS, told, Etold, Iz, &
Eorbs, NMAX,Dbug, doing_ehrenfest, &
MO_coef_at, MO_coef_at_b, Smat, good_cut, &
ndiis, rhoalpha, rhobeta, OPEN, RealRho, d, ntatom, &
Eorbs_b, npas, X, npasw, Fmat_vec, Fmat_vec2, &
Ginv_vec, Gmat_vec, Hmat_vec, Pmat_en_wgt, Pmat_vec
use ECP_mod, only : ecpmode, term1e, VAAA, VAAB, VBAC, &
FOCK_ECP_read,FOCK_ECP_write,IzECP
use ECP_mod, only : ecpmode
use field_data, only: field, fx, fy, fz
use field_subs, only: field_calc, field_setup_old
use td_data, only: timedep, tdrestart, tdstep
use td_data, only: timedep, tdrestart
use transport_data, only : generate_rho0
use time_dependent, only : TD
use faint_cpu, only: int1, intsol, int2, int3mem, int3lu
use tbdft_data, only : tbdft_calc, MTBDFT, MTB, chargeA_TB, chargeB_TB, &
rhoa_tbdft, rhob_tbdft
use tbdft_data, only : tbdft_calc, MTBDFT, MTB, rhoa_tbdft, rhob_tbdft
use tbdft_subs, only : tbdft_init, getXY_TBDFT, build_chimera_TBDFT, &
extract_rhoDFT, construct_rhoTBDFT, tbdft_scf_output
use cubegen , only: cubegen_vecin, cubegen_matin, cubegen_write
Expand All @@ -67,8 +65,7 @@ subroutine SCF(E)
use fileio , only: write_energies, write_energy_convergence, &
write_final_convergence
use fileio_data , only: verbose
use basis_data , only: kkinds, kkind, cools, cool, Nuc, nshell, ncont, a, &
c, M, Md
use basis_data , only: kkinds, kkind, cools, cool, Nuc, nshell, M, Md

!%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%!

Expand All @@ -84,11 +81,6 @@ subroutine SCF(E)

! The following two variables are in a part of the code that is never
! used. Check if these must be taken out...
real*8 :: factor
integer :: IDAMP

real*8, allocatable :: rho_test(:,:)
real*8, allocatable :: fockat(:,:)
real*8, allocatable :: morb_coefon(:,:)

!------------------------------------------------------------------------------!
Expand Down Expand Up @@ -117,11 +109,8 @@ subroutine SCF(E)
real*8, allocatable :: sqsmat(:,:)
real*8, allocatable :: tmpmat(:,:)

real*8 :: dipxyz(3)

! FIELD variables (maybe temporary)
real*8 :: Qc, Qc2, g
integer :: ng2
real*8 :: Qc, Qc2

!------------------------------------------------------------------------------!
! Energy contributions and convergence
Expand Down Expand Up @@ -156,9 +145,6 @@ subroutine SCF(E)
integer :: MM, MM2, MMd, Md2
integer :: M1, M2

real*8, allocatable :: Y(:,:)
real*8, allocatable :: Ytrans(:,:)
real*8, allocatable :: Xtrans(:,:)

!%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%!
!carlos: Operators for matrices with alpha and beta spins.
Expand Down
11 changes: 4 additions & 7 deletions lioamber/TD.f90
Original file line number Diff line number Diff line change
Expand Up @@ -46,7 +46,7 @@ subroutine TD(fock_aop, rho_aop, fock_bop, rho_bop)
pc, X, Smat, MEMO, ntatom, sqsm, Nunp, OPEN, &
natom, d, rhoalpha, rhobeta, Fmat_vec, Fmat_vec2,&
Ginv_vec, Hmat_vec, Gmat_vec, Pmat_vec
use basis_data , only: M, Md, Nuc, ncont, nshell, a, c, Norm, MM, MMd
use basis_data , only: M, Md, Nuc, ncont, nshell, MM
use td_data , only: td_rst_freq, tdstep, ntdstep, tdrestart, &
writedens, pert_time
use field_data , only: field, fx, fy, fz
Expand All @@ -73,12 +73,12 @@ subroutine TD(fock_aop, rho_aop, fock_bop, rho_bop)
type(operator), intent(inout), optional :: rho_bop, fock_bop

real*8 :: E, En, E1, E2, E1s, Es, Ens = 0.0D0, Ex, t, dt_magnus, dt_lpfrg
integer :: M2, LWORK, igpu, info, istep, icount, jcount
integer :: M2, igpu, istep
integer :: lpfrg_steps = 200, chkpntF1a = 185, chkpntF1b = 195
logical :: is_lpfrg = .false. , fock_restart = .false.
character(len=20) :: restart_filename

real*8 , allocatable, dimension(:) :: factorial, WORK
real*8 , allocatable, dimension(:) :: factorial
real*8 , allocatable, dimension(:,:) :: Xmm, Xmat,Xtrans, Ytrans, overlap, &
Ymat, Smat_initial
!carlos: the next variables have 3 dimensions, the 3th one is asociated with the
Expand Down Expand Up @@ -113,7 +113,7 @@ subroutine TD(fock_aop, rho_aop, fock_bop, rho_bop)
#endif
!TBDFT: M_f controls de size of the bigest matrices for TBDFT, ii and jj are only
!counters, and traza is for the control of the trace of density matrix
integer :: M_f, ii,jj
integer :: M_f
!carlos: Open Shell variables

integer :: NCOa, NCOb
Expand Down Expand Up @@ -1312,8 +1312,6 @@ subroutine td_verlet(M, M_f, dim3, OPEN, fock_aop, rhold, rho_aop, rhonew, &
rhonew(M_f,M_f, dim3)
complex*16, allocatable :: rho(:,:,:), rho_aux(:,:,:)
#endif
integer :: icount, jcount
real*8 :: traza

allocate(rho(M_f, M_f, dim3), rho_aux(M_f, M_f, dim3))

Expand Down Expand Up @@ -1405,7 +1403,6 @@ subroutine td_magnus(M, dim3, OPEN, fock_aop, F1a, F1b, rho_aop, rhonew, &
complex*16, allocatable :: rho(:,:,:),rho_aux(:,:,:), rho_aux0(:,:)
#endif
real*8, allocatable :: fock_aux(:,:,:), fock(:,:,:)
integer :: ii, jj

allocate(rho(M_f,M_f,dim3), rho_aux(M_f,M_f,dim3), &
fock_aux(M_f,M_f, dim3), fock(M_f, M_f, dim3),rho_aux0(M_f,M_f))
Expand Down
1 change: 0 additions & 1 deletion lioamber/converger_subs.f90
Original file line number Diff line number Diff line change
Expand Up @@ -78,7 +78,6 @@ subroutine conver (niter, good, good_cut, M_in, rho_op, fock_op, &
double precision, intent(in) :: Xmat(M_in,M_in), Ymat(M_in,M_in)
#endif

double precision :: damp
integer :: ndiist, ii, jj, kk, kknew, lwork, info
double precision, allocatable :: fock00(:,:), EMAT(:,:), diag1(:,:), &
suma(:,:), scratch1(:,:), scratch2(:,:), &
Expand Down
3 changes: 1 addition & 2 deletions lioamber/dft_get_qm_forces.f90
Original file line number Diff line number Diff line change
Expand Up @@ -5,15 +5,14 @@ subroutine dft_get_qm_forces(dxyzqm)
cubegen_only, number_restr, doing_ehrenfest, &
qm_forces_ds, qm_forces_total, Pmat_en_wgt, &
Pmat_vec
use basis_data , only: M, Md
use ehrendata , only: nullify_forces
use faint_cpu , only: int1G, intSG, int3G
use fileio_data, only: verbose
use fileio , only: write_force_log
implicit none
double precision, intent(out) :: dxyzqm(3,natom)
double precision, allocatable :: ff1G(:,:),ffSG(:,:),ff3G(:,:)
integer :: fileunit, igpu, katm, icrd
integer :: igpu, katm, icrd
double precision :: f_r ! For restraints

if (cubegen_only) return
Expand Down
2 changes: 1 addition & 1 deletion lioamber/drive.f90
Original file line number Diff line number Diff line change
Expand Up @@ -16,7 +16,7 @@ subroutine drive(iostat)
number_restr, restr_pairs, restr_index, restr_k, &
restr_w, restr_r0, mulliken, MO_coef_at, MO_coef_at_b,&
use_libxc, ex_functional_id, ec_functional_id, &
pi, Fmat_vec, Fmat_vec2, Ginv_vec, Hmat_vec
Fmat_vec, Fmat_vec2, Ginv_vec, Hmat_vec
use basis_data, only: nshell, nshelld, ncont, ncontd, indexii, a, c, ad, cd,&
af, M, Md, rmax, norm, nuc, nucd
use ECP_mod , only: ecpmode
Expand Down
2 changes: 1 addition & 1 deletion lioamber/ehrensubs/RMMcalc1_Overlap.f90
Original file line number Diff line number Diff line change
Expand Up @@ -5,7 +5,7 @@ subroutine RMMcalc1_Overlap(Ovlap,Energy)
!
!%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%!
use garcha_mod , only: Smat, d, r, Iz, natom, ntatom, Fmat_vec, Hmat_vec
use basis_data , only: M, Md, MM
use basis_data , only: M
use faint_cpu , only: int1
implicit none
real*8,intent(out) :: Ovlap(M,M)
Expand Down
2 changes: 1 addition & 1 deletion lioamber/ehrensubs/RMMcalc3_FockMao.f90
Original file line number Diff line number Diff line change
Expand Up @@ -7,7 +7,7 @@ subroutine RMMcalc3_FockMao( DensMao, ElecField, FockMao, DipMom, Energy )
!%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%!
use faint_cpu , only: intfld, int3lu

use garcha_mod, only: natom, Iz, NCO, Nunp, total_time, Pmat_vec, open, &
use garcha_mod, only: natom, Iz, NCO, Nunp, Pmat_vec, open, &
r, d, ntatom, MEMO, Fmat_vec, Fmat_vec2, Ginv_vec, &
Hmat_vec, Gmat_vec

Expand Down
2 changes: 1 addition & 1 deletion lioamber/ehrensubs/RMMcalc4_FockMao.f90
Original file line number Diff line number Diff line change
Expand Up @@ -14,7 +14,7 @@ subroutine RMMcalc4_FockMao( DensMao, FockMao, DipMom, Energy )
pc, Fmat_vec, Fmat_vec2, Ginv_vec, Hmat_vec, Gmat_vec, Pmat_vec

use basis_data, &
&only: M, Md, kkind, kkinds, cool, cools, MM, MMd
&only: M, kkind, kkinds, cool, cools, MM

use ehrendata, &
&only: eefld_on, eefld_ampx, eefld_ampy, eefld_ampz, eefld_wavelen &
Expand Down
2 changes: 1 addition & 1 deletion lioamber/ehrensubs/calc_gintmat.f90
Original file line number Diff line number Diff line change
Expand Up @@ -21,7 +21,7 @@ subroutine calc_gintmat( mni, mnj, ai, aj, ri, rj, IntMat )
real*8,intent(in) :: ri(3),rj(3)
real*8,intent(out) :: IntMat(3,4,4)

integer :: ntot,ii,jj,kk
integer :: ii,jj,kk
real*8 :: a0,b1,b2,b3,b5,b7
real*8 :: theta,PRE(3),r0(3)
real*8 :: GI0,GI2,GI4,GI6
Expand Down
4 changes: 2 additions & 2 deletions lioamber/ehrensubs/ehrenaux_magnus.f90
Original file line number Diff line number Diff line change
Expand Up @@ -13,8 +13,8 @@ subroutine ehrenaux_magnus( Nsize, Norder, dt, Fmat, Rold, Rnew )
complex*16,intent(in) :: Rold(Nsize,Nsize)
complex*16,intent(out) :: Rnew(Nsize,Nsize)

integer :: kk, ii, jj
real*8 :: factinv, acum, tots
integer :: kk
real*8 :: factinv
complex*16,allocatable :: Omega1(:,:)
complex*16,allocatable :: ConmutAcum(:,:)
complex*16,allocatable :: TermPos(:,:),TermNeg(:,:)
Expand Down
7 changes: 3 additions & 4 deletions lioamber/ehrensubs/ehrendyn_main.f90
Original file line number Diff line number Diff line change
Expand Up @@ -8,7 +8,7 @@ subroutine ehrendyn_main( energy_o, dipmom_o )
!%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%!
use garcha_mod, &
& only: natom, atom_mass, nucpos, nucvel, qm_forces_ds, qm_forces_total &
& , first_step, propagator
& , propagator
use basis_data, &
& only: M

Expand All @@ -18,7 +18,7 @@ subroutine ehrendyn_main( energy_o, dipmom_o )
use ehrendata, &
& only: stored_time, stored_energy, stored_dipmom &
& , stored_densM1, stored_densM2 &
& , rsti_funit, rsto_funit, nustep_count, elstep_count &
& , nustep_count, elstep_count &
& , ndyn_steps, edyn_steps, wdip_nfreq, wdip_fname &
& , rsti_loads, rsti_fname, rsto_saves, rsto_nfreq, rsto_fname

Expand All @@ -28,8 +28,7 @@ subroutine ehrendyn_main( energy_o, dipmom_o )

real*8 :: time, dtn, dte, dtaux
integer :: elstep_local, elstep_keeps
integer :: substep, substeps
integer :: nn, kk
integer :: substep

logical :: first_nustep
logical :: load_restart
Expand Down
3 changes: 1 addition & 2 deletions lioamber/ehrensubs/ehrendyn_step.f90
Original file line number Diff line number Diff line change
Expand Up @@ -38,9 +38,8 @@ subroutine ehrendyn_step( step_back, propagator_id, time_value, time_step, &
real*8 :: dipmom0(3)
real*8 :: energy0

integer :: substep, substeps, nn
integer :: substep, substeps
real*8 :: time, dt
real*8 :: elec_field(3)
real*8 , allocatable :: Bmat(:,:)
real*8 , allocatable :: Dmat(:,:)
complex*16, allocatable :: Tmat(:,:)
Expand Down
1 change: 0 additions & 1 deletion lioamber/errlog.f90
Original file line number Diff line number Diff line change
Expand Up @@ -126,7 +126,6 @@ end subroutine errlog_Checkin
!%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%!
subroutine errlog_Checkout( last_errid )
integer, intent(out), optional :: last_errid
integer :: nn


if ( present(last_errid) ) last_errid=0
Expand Down
4 changes: 2 additions & 2 deletions lioamber/faint_cpu/subm_int2.f90
Original file line number Diff line number Diff line change
Expand Up @@ -28,7 +28,7 @@
module subm_int2
contains
subroutine int2(Gmat, Ginv, r, d, ntatom)
use basis_data , only: M, Md, nshelld, ncontd, ad, cd, norm, Nucd
use basis_data , only: Md, nshelld, ncontd, ad, cd, norm, Nucd
use liosubs_math , only: FUNCT
use constants_mod, only: pi5

Expand All @@ -44,7 +44,7 @@ subroutine int2(Gmat, Ginv, r, d, ntatom)
ps, pjs, pjp, pj2s, pis, pip, pi2s, pi3s, d1s, d2s, dd, &
dp, ds
integer :: i_ind, j_ind, k_ind, ifunct, jfunct, nci, ncj, nsd, npd,&
ndd, lll, l12, l34, l1, l2, l3, l4, lij, lk, Md2
ndd, l12, l34, l1, l2, l3, l4, lij, lk, Md2
! Variables for Lapack
integer :: LA_WORK_SIZE, LA_INFO
integer , allocatable :: LA_IWORK(:)
Expand Down
2 changes: 1 addition & 1 deletion lioamber/faint_cpu/subm_int2G.f90
Original file line number Diff line number Diff line change
Expand Up @@ -46,7 +46,7 @@ subroutine int2G(f, natom, ntatom, r, d)
pi0d, pj0s, pj0p, pj0d, p1p, pi2s, pi2p, pi3s, pi4s, &
pj2s, pj2p, pj3s
double precision :: ds, dp, dpl, dsd, d0p, d0pl, d1d, d1p, d1s, d2s, d3s, &
dd, df
df
double precision :: fs, fp, fd
double precision :: ti, tj, t0, t1, t2, t10, t11, t12, t12b, t13, t13a, &
t13b, t14, t14a, t14b, t15, t15a, t15b, t16, t16b, t17,&
Expand Down
4 changes: 2 additions & 2 deletions lioamber/faint_cpu/subm_int3G.f90
Original file line number Diff line number Diff line change
Expand Up @@ -73,7 +73,7 @@ subroutine int3G(frc, calc_energy, rho_mat, r, d, natom, ntatom)
sp3js, spd, spjpk, spjs, spk, spp, sps, ss0d, ss0p, &
ss0pj, ss1d, ss1p, ss1pj, ss1pk, ss1s, ss2p, ss2pj, &
ss2pk, ss2s, ss3s, ss4s, ss5s, ss6s, ss7s, ssd, ssf, &
ssp, sspj, sspk, sss, spf
ssp, sspj, sspk, sss
double precision :: p1s, p2s, p3s, p4s, p5s, p6s, p0pk, p1pk, pi0dd, pi0d, &
pds, pdp, pdd, pi0sd, pi0pp, pi0p, pi0dp, pi0dkl, pi1dp,&
pi1dkl, pi1dd, pi0spj, pi1pl, pi1pkpm, pi1pk, pi1d, &
Expand Down Expand Up @@ -102,7 +102,7 @@ subroutine int3G(frc, calc_energy, rho_mat, r, d, natom, ntatom)
d2spm, d2s, d2pl, d2pk
double precision :: fdp, fdd, fss, fsp, fsd, fps, fpp, fpd, fds

double precision :: ta, tb, ti, tj, te, ty, t0, t1, t2, t2a, t2b, t3, t3a, &
double precision :: ta, tb, ti, tj, te, ty, t0, t1, t2, t3, t3a, &
t3b, t4, t4b, t5, t5a, t5b, t5x, t5y, t6, t6a, t6b, &
t6c, t6d, t7, t7a, t7b, t7c, t7d, t8, t8a, t8b, t9, t9b,&
t10, t10a, t10b, t11, t11a, t11b, t12, t12a, t12b, t13, &
Expand Down
4 changes: 2 additions & 2 deletions lioamber/faint_cpu/subm_intSG.f90
Original file line number Diff line number Diff line change
Expand Up @@ -29,7 +29,7 @@
module subm_intSG
contains
subroutine intSG(ff, wgt_rho, r, d, natom, ntatom)
use basis_data , only: a, c, Nuc, ncont, nshell, M, Md, NORM
use basis_data , only: a, c, Nuc, ncont, nshell, M, NORM
use constants_mod, only: pi32
implicit none

Expand All @@ -42,7 +42,7 @@ subroutine intSG(ff, wgt_rho, r, d, natom, ntatom)

double precision :: ovlap, fsp, sq3, ccoef, rexp, Zij, Z2, fs, fd, f1, f2, &
ti, tj, te, t0, t1, t2, t4, t5, t10, t11, t12, t13, &
t14, t15, t16, t17, ss, spi, spj, spk, ps, pp, pd, &
t14, t15, t16, t17, ss, spj, spk, pp, pd, &
pidkl, pipk, pis, pjdkl, pjpk, pjs, ds, dp, dd, df, &
dsd, dijpk, dijpl, dijs, Q(3)

Expand Down
4 changes: 2 additions & 2 deletions lioamber/faint_cpu/subm_intfld.f90
Original file line number Diff line number Diff line change
Expand Up @@ -35,7 +35,7 @@ module subm_intfld
contains
subroutine intfld(Fmat_b, Fmat, r, d, Iz, natom, ntatom, open_shell, g, ux, uy,&
uz)
use basis_data, only: a, c, nuc, ncont, nshell, NORM, M, Md
use basis_data, only: a, c, nuc, ncont, nshell, NORM, M
use constants_mod, only: pi32
implicit none
integer , intent(in) :: natom, ntatom, Iz(natom)
Expand All @@ -47,7 +47,7 @@ subroutine intfld(Fmat_b, Fmat, r, d, Iz, natom, ntatom, open_shell, g, ux, uy,&
double precision :: aux(3) , aux1(3), aux2(3), aux3(3), aux4(3), aux5(3), &
aux6(3), Q(3)

integer :: MM, M2, l1, l2, l3, l4, Ll(3), ns, np, nd, ifunct, &
integer :: M2, l1, l2, l3, l4, Ll(3), ns, np, nd, ifunct, &
jfunct, nci, ncj, i_ind, j_ind, fock_ind

double precision :: ss, ps, pp, pis, pjs, dp, dijs, sxs, sys, szs, t1, ti, &
Expand Down
2 changes: 1 addition & 1 deletion lioamber/faint_cpu/subm_intsol.f90
Original file line number Diff line number Diff line change
Expand Up @@ -50,7 +50,7 @@ subroutine intsol(Rho, Hmat, Iz, pc, r, d, natom, ntatom, E1s, Ens, elec)
Ll(3), lk, lij, l1, l2, l3, l4, M2, vecmat_ind
double precision :: sq3, rexp, ccoef, term, tna, uf, Z2, Zij, t1, t2, f1, &
f2, p3s, p2s, p1s, p0s, pj2s, pj1s, pj1p, pj0s, pj0p, &
pi1p, pi0p, dd2, d1s, d2s, d1p, d0s, d0p, Q(3)
pi1p, pi0p, d1s, d2s, d1p, d0s, d0p, Q(3)
double precision, allocatable :: s0s(:), s1s(:), s2s(:), s3s(:), s4s(:)

allocate(s0s(ntatom), s1s(ntatom), s2s(ntatom), s3s(ntatom), s4s(ntatom))
Expand Down
5 changes: 2 additions & 3 deletions lioamber/faint_cpu/subm_intsolG.f90
Original file line number Diff line number Diff line change
Expand Up @@ -33,7 +33,7 @@ subroutine intsolG(frc_qm, frc_mm, natom, ntatom, rho, d, r, pc, Iz)

use basis_data , only: M, a, c, Nuc, Ncont, nshell, rmax, NORM
use liosubs_math , only: FUNCT
use constants_mod, only: pi, pi32
use constants_mod, only: pi

implicit none
integer , intent(in) :: natom, ntatom, Iz(natom)
Expand All @@ -60,8 +60,7 @@ subroutine intsolG(frc_qm, frc_mm, natom, ntatom, rho, d, r, pc, Iz)
t90, t91, t92, t93, t94, t95, t96, t97, t98
double precision :: dn(3) , dn1(3) , dn2(3) , dn3(3) , dn4(3) , dn5(3) , &
dn6(3) , dn7(3) , dn8(3) , dn9(3) , dn10(3), dn2b(3), &
dn4b(3), dn5b(3), dn7b(3), dn8b(3), dn9b(3), dn11(3), &
dn12(3)
dn4b(3), dn5b(3), dn7b(3), dn8b(3), dn9b(3)
double precision, allocatable :: s0s(:), s1s(:), s2s(:), s3s(:), s4s(:), &
s5s(:), s6s(:), x0x(:,:), x1x(:,:), &
x2x(:,:), x3x(:,:), x4x(:,:)
Expand Down
2 changes: 0 additions & 2 deletions lioamber/field_subs.f90
Original file line number Diff line number Diff line change
Expand Up @@ -244,7 +244,6 @@ end subroutine field_setup_aniso_easy
! Intended to use as default or retrocompatibility with old way of
! setting fields.
subroutine field_setup_old(pert_time, fld_shape, fld_x, fld_y, fld_z)
use field_data, only: nfields_iso, nfields_aniso
implicit none
integer, intent(in) :: fld_shape
real*8 , intent(in) :: fld_x, fld_y, fld_z, pert_time
Expand All @@ -269,7 +268,6 @@ subroutine field_calc_all(fx, fy, fz, time)
real*8, intent(in) :: time
real*8, intent(out) :: fx, fy, fz
real*8 :: fld_temp(3)
type(field_iso) :: f_temp
integer :: icount

fx = 0.0D0; fy = 0.0D0; fz = 0.0D0
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