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Remove first set of unused routineP parameters
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@mkrack
mkrack committed Aug 15, 2020
1 parent aabaabd commit 5113a12
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Showing 555 changed files with 1,675 additions and 1,675 deletions.
2 changes: 1 addition & 1 deletion src/admm_dm_methods.F
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Expand Up @@ -362,7 +362,7 @@ END SUBROUTINE merge_dm_blocked
SUBROUTINE purify_mcweeny(ks_env)
TYPE(qs_ks_env_type), POINTER :: ks_env

CHARACTER(LEN=*), PARAMETER :: routineN = 'purify_mcweeny', routineP = moduleN//':'//routineN
CHARACTER(LEN=*), PARAMETER :: routineN = 'purify_mcweeny'

INTEGER :: handle, ispin, istep, nspins, unit_nr
REAL(KIND=dp) :: frob_norm
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2 changes: 1 addition & 1 deletion src/admm_dm_types.F
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Expand Up @@ -62,7 +62,7 @@ SUBROUTINE admm_dm_create(admm_dm, admm_control, nspins, natoms)
TYPE(admm_control_type), POINTER :: admm_control
INTEGER, INTENT(IN) :: nspins, natoms

CHARACTER(LEN=*), PARAMETER :: routineN = 'admm_dm_create', routineP = moduleN//':'//routineN
CHARACTER(LEN=*), PARAMETER :: routineN = 'admm_dm_create'

INTEGER :: i, iatom, iblock, j, jatom

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8 changes: 4 additions & 4 deletions src/admm_methods.F
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Expand Up @@ -575,7 +575,7 @@ SUBROUTINE fit_mo_coeffs(admm_env, matrix_s_aux_fit, matrix_s_mixed, &
TYPE(mo_set_p_type), DIMENSION(:), POINTER :: mos
LOGICAL, INTENT(IN) :: geometry_did_change, blocked

CHARACTER(LEN=*), PARAMETER :: routineN = 'fit_mo_coeffs', routineP = moduleN//':'//routineN
CHARACTER(LEN=*), PARAMETER :: routineN = 'fit_mo_coeffs'

INTEGER :: blk, handle, iatom, jatom, nao_aux_fit, &
nao_orb, nspins
Expand Down Expand Up @@ -724,7 +724,7 @@ SUBROUTINE purify_mo_diag(admm_env, mos, mos_aux_fit)
TYPE(admm_type), POINTER :: admm_env
TYPE(mo_set_p_type), DIMENSION(:), POINTER :: mos, mos_aux_fit

CHARACTER(LEN=*), PARAMETER :: routineN = 'purify_mo_diag', routineP = moduleN//':'//routineN
CHARACTER(LEN=*), PARAMETER :: routineN = 'purify_mo_diag'

INTEGER :: handle, i, ispin, nao_aux_fit, nao_orb, &
nmo, nspins
Expand Down Expand Up @@ -789,7 +789,7 @@ SUBROUTINE purify_mo_none(admm_env, mos, mos_aux_fit)
TYPE(admm_type), POINTER :: admm_env
TYPE(mo_set_p_type), DIMENSION(:), POINTER :: mos, mos_aux_fit

CHARACTER(LEN=*), PARAMETER :: routineN = 'purify_mo_none', routineP = moduleN//':'//routineN
CHARACTER(LEN=*), PARAMETER :: routineN = 'purify_mo_none'

INTEGER :: handle, ispin, nao_aux_fit, nao_orb, &
nmo, nmo_mos, nspins
Expand Down Expand Up @@ -1790,7 +1790,7 @@ SUBROUTINE scale_dm(qs_env, rho_ao_orb, scale_back)
TYPE(dbcsr_p_type), DIMENSION(:, :), POINTER :: rho_ao_orb
LOGICAL, INTENT(IN) :: scale_back
CHARACTER(LEN=*), PARAMETER :: routineN = 'scale_dm', routineP = moduleN//':'//routineN
CHARACTER(LEN=*), PARAMETER :: routineN = 'scale_dm'
INTEGER :: handle, img, ispin
TYPE(admm_type), POINTER :: admm_env
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4 changes: 2 additions & 2 deletions src/al_system_types.F
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Expand Up @@ -62,7 +62,7 @@ SUBROUTINE al_init(al, simpar, section)
TYPE(simpar_type), POINTER :: simpar
TYPE(section_vals_type), POINTER :: section

CHARACTER(LEN=*), PARAMETER :: routineN = 'al_init', routineP = moduleN//':'//routineN
CHARACTER(LEN=*), PARAMETER :: routineN = 'al_init'

NULLIFY (al%nvt)
NULLIFY (al%map_info)
Expand Down Expand Up @@ -111,7 +111,7 @@ END SUBROUTINE al_thermo_create
SUBROUTINE al_dealloc(al)
TYPE(al_system_type), POINTER :: al

CHARACTER(LEN=*), PARAMETER :: routineN = 'al_dealloc', routineP = moduleN//':'//routineN
CHARACTER(LEN=*), PARAMETER :: routineN = 'al_dealloc'

IF (ASSOCIATED(al)) THEN
CALL al_thermo_dealloc(al%nvt)
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8 changes: 4 additions & 4 deletions src/almo_scf.F
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Expand Up @@ -124,7 +124,7 @@ SUBROUTINE almo_entry_scf(qs_env, calc_forces)
TYPE(qs_environment_type), POINTER :: qs_env
LOGICAL, INTENT(IN) :: calc_forces

CHARACTER(len=*), PARAMETER :: routineN = 'almo_entry_scf', routineP = moduleN//':'//routineN
CHARACTER(len=*), PARAMETER :: routineN = 'almo_entry_scf'

INTEGER :: handle
TYPE(almo_scf_env_type), POINTER :: almo_scf_env
Expand Down Expand Up @@ -179,7 +179,7 @@ SUBROUTINE almo_scf_init(qs_env, almo_scf_env, calc_forces)
TYPE(almo_scf_env_type), INTENT(INOUT) :: almo_scf_env
LOGICAL, INTENT(IN) :: calc_forces

CHARACTER(len=*), PARAMETER :: routineN = 'almo_scf_init', routineP = moduleN//':'//routineN
CHARACTER(len=*), PARAMETER :: routineN = 'almo_scf_init'

INTEGER :: ao, handle, i, iao, idomain, ispin, &
multip, naos, natoms, ndomains, nelec, &
Expand Down Expand Up @@ -1276,7 +1276,7 @@ SUBROUTINE almo_scf_main(qs_env, almo_scf_env)
TYPE(qs_environment_type), POINTER :: qs_env
TYPE(almo_scf_env_type), INTENT(INOUT) :: almo_scf_env

CHARACTER(len=*), PARAMETER :: routineN = 'almo_scf_main', routineP = moduleN//':'//routineN
CHARACTER(len=*), PARAMETER :: routineN = 'almo_scf_main'

INTEGER :: handle, ispin, unit_nr
TYPE(cp_logger_type), POINTER :: logger
Expand Down Expand Up @@ -2123,7 +2123,7 @@ SUBROUTINE almo_scf_post(qs_env, almo_scf_env)
TYPE(qs_environment_type), POINTER :: qs_env
TYPE(almo_scf_env_type), INTENT(INOUT) :: almo_scf_env
CHARACTER(len=*), PARAMETER :: routineN = 'almo_scf_post', routineP = moduleN//':'//routineN
CHARACTER(len=*), PARAMETER :: routineN = 'almo_scf_post'
INTEGER :: handle, ispin
TYPE(cp_fm_type), POINTER :: mo_coeff
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6 changes: 3 additions & 3 deletions src/almo_scf_methods.F
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Expand Up @@ -1432,7 +1432,7 @@ SUBROUTINE get_overlap(bra, ket, overlap, metric, retain_overlap_sparsity, &
REAL(KIND=dp) :: eps_filter
LOGICAL, INTENT(IN), OPTIONAL :: smear
CHARACTER(LEN=*), PARAMETER :: routineN = 'get_overlap', routineP = moduleN//':'//routineN
CHARACTER(LEN=*), PARAMETER :: routineN = 'get_overlap'
INTEGER :: dim0, handle
LOGICAL :: local_retain_sparsity, smearing
Expand Down Expand Up @@ -2695,7 +2695,7 @@ SUBROUTINE matrix_sqrt(A, Asqrt, Asqrtinv, N)
REAL(KIND=dp), DIMENSION(:, :), INTENT(INOUT) :: Asqrt, Asqrtinv
INTEGER, INTENT(IN) :: N
CHARACTER(len=*), PARAMETER :: routineN = 'matrix_sqrt', routineP = moduleN//':'//routineN
CHARACTER(len=*), PARAMETER :: routineN = 'matrix_sqrt'
INTEGER :: handle, INFO, jj, LWORK, unit_nr
REAL(KIND=dp), ALLOCATABLE, DIMENSION(:) :: eigenvalues, WORK
Expand Down Expand Up @@ -3249,7 +3249,7 @@ SUBROUTINE construct_test(matrix_no, dpattern, map, node_of_domain)
TYPE(domain_map_type), INTENT(IN) :: map
INTEGER, DIMENSION(:), INTENT(IN) :: node_of_domain
CHARACTER(len=*), PARAMETER :: routineN = 'construct_test', routineP = moduleN//':'//routineN
CHARACTER(len=*), PARAMETER :: routineN = 'construct_test'
INTEGER :: GroupID, handle, ndomains
TYPE(dbcsr_type) :: copy1
Expand Down
6 changes: 3 additions & 3 deletions src/almo_scf_optimizer.F
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Expand Up @@ -3014,7 +3014,7 @@ SUBROUTINE xalmo_analysis(detailed_analysis, eps_filter, m_T_in, m_T0_in, &
REAL(KIND=dp), INTENT(INOUT) :: energy_out
TYPE(dbcsr_type), DIMENSION(:), INTENT(INOUT) :: m_eda_out, m_cta_out

CHARACTER(len=*), PARAMETER :: routineN = 'xalmo_analysis', routineP = moduleN//':'//routineN
CHARACTER(len=*), PARAMETER :: routineN = 'xalmo_analysis'

INTEGER :: handle, ispin, nspins
REAL(KIND=dp) :: energy_ispin, spin_factor
Expand Down Expand Up @@ -3222,7 +3222,7 @@ SUBROUTINE split_v_blk(almo_scf_env)
TYPE(almo_scf_env_type), INTENT(INOUT) :: almo_scf_env
CHARACTER(len=*), PARAMETER :: routineN = 'split_v_blk', routineP = moduleN//':'//routineN
CHARACTER(len=*), PARAMETER :: routineN = 'split_v_blk'
INTEGER :: discarded_v, handle, iblock_col, &
iblock_col_size, iblock_row, &
Expand Down Expand Up @@ -8026,7 +8026,7 @@ SUBROUTINE apply_hessian(m_x_in, m_x_out, m_ks, m_s, m_siginv, &
REAL(KIND=dp), INTENT(IN) :: eps_filter
INTEGER, INTENT(IN) :: path_num
CHARACTER(len=*), PARAMETER :: routineN = 'apply_hessian', routineP = moduleN//':'//routineN
CHARACTER(len=*), PARAMETER :: routineN = 'apply_hessian'
INTEGER :: dim0, handle, ispin, nspins
REAL(KIND=dp) :: penalty_prefactor_local, spin_factor
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6 changes: 3 additions & 3 deletions src/aobasis/ai_contraction.F
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Expand Up @@ -79,7 +79,7 @@ SUBROUTINE contraction_ab(sab, qab, ca, na, ma, cb, nb, mb, fscale, trans)
REAL(KIND=dp), INTENT(IN), OPTIONAL :: fscale
LOGICAL, INTENT(IN), OPTIONAL :: trans

CHARACTER(len=*), PARAMETER :: routineN = 'contraction_ab', routineP = moduleN//':'//routineN
CHARACTER(len=*), PARAMETER :: routineN = 'contraction_ab'

INTEGER :: lda, ldb, ldq, lds, ldw, mal, mbl, nal, &
nbl
Expand Down Expand Up @@ -381,7 +381,7 @@ SUBROUTINE force_trace_ab(force, sab, pab, na, nb, m, trans)
INTEGER, INTENT(IN) :: na, nb, m
LOGICAL, INTENT(IN), OPTIONAL :: trans

CHARACTER(len=*), PARAMETER :: routineN = 'force_trace_ab', routineP = moduleN//':'//routineN
CHARACTER(len=*), PARAMETER :: routineN = 'force_trace_ab'

INTEGER :: i
LOGICAL :: my_trans
Expand Down Expand Up @@ -429,7 +429,7 @@ SUBROUTINE block_add_ab(dir, sab, na, nb, qab, ia, ib, trans)
INTEGER, INTENT(IN) :: ia, ib
LOGICAL, INTENT(IN), OPTIONAL :: trans

CHARACTER(len=*), PARAMETER :: routineN = 'block_add_ab', routineP = moduleN//':'//routineN
CHARACTER(len=*), PARAMETER :: routineN = 'block_add_ab'

INTEGER :: ja, jb
LOGICAL :: my_trans
Expand Down
6 changes: 3 additions & 3 deletions src/aobasis/ai_contraction_sphi.F
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Expand Up @@ -51,7 +51,7 @@ SUBROUTINE ab_contract(abint, sab, sphi_a, sphi_b, ncoa, ncob, nsgfa, nsgfb)
REAL(KIND=dp), DIMENSION(:, :), INTENT(IN) :: sab, sphi_a, sphi_b
INTEGER, INTENT(IN) :: ncoa, ncob, nsgfa, nsgfb

CHARACTER(LEN=*), PARAMETER :: routineN = 'ab_contract', routineP = moduleN//':'//routineN
CHARACTER(LEN=*), PARAMETER :: routineN = 'ab_contract'

INTEGER :: handle, m1, m2, msphia, msphib, nn
REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :) :: cpp
Expand Down Expand Up @@ -100,7 +100,7 @@ SUBROUTINE abc_contract(abcint, sabc, sphi_a, sphi_b, sphi_c, ncoa, ncob, ncoc,
REAL(KIND=dp), DIMENSION(:, :) :: sphi_a, sphi_b, sphi_c
INTEGER, INTENT(IN) :: ncoa, ncob, ncoc, nsgfa, nsgfb, nsgfc

CHARACTER(LEN=*), PARAMETER :: routineN = 'abc_contract', routineP = moduleN//':'//routineN
CHARACTER(LEN=*), PARAMETER :: routineN = 'abc_contract'

INTEGER :: handle, i, m1, m2, m3, msphia, msphib, &
msphic
Expand Down Expand Up @@ -163,7 +163,7 @@ SUBROUTINE abcd_contract(abcdint, sabcd, sphi_a, sphi_b, sphi_c, sphi_d, ncoa, n
INTEGER, INTENT(IN) :: ncoa, ncob, ncoc, ncod, nsgfa, nsgfb, &
nsgfc, nsgfd

CHARACTER(LEN=*), PARAMETER :: routineN = 'abcd_contract', routineP = moduleN//':'//routineN
CHARACTER(LEN=*), PARAMETER :: routineN = 'abcd_contract'

INTEGER :: handle, isgfc, isgfd, m1, m2, m3, m4, &
msphia, msphib, msphic, msphid
Expand Down
6 changes: 3 additions & 3 deletions src/aobasis/ai_coulomb.F
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Expand Up @@ -94,7 +94,7 @@ SUBROUTINE coulomb2(la_max, npgfa, zeta, rpgfa, la_min, lc_max, npgfc, zetc, rpg
INTEGER, INTENT(IN), OPTIONAL :: maxder
REAL(KIND=dp), DIMENSION(:, :), OPTIONAL :: vac_plus

CHARACTER(len=*), PARAMETER :: routineN = 'coulomb2', routineP = moduleN//':'//routineN
CHARACTER(len=*), PARAMETER :: routineN = 'coulomb2'

INTEGER :: ax, ay, az, coc, cocx, cocy, cocz, cx, &
cy, cz, i, ipgf, j, jpgf, la, lc, &
Expand Down Expand Up @@ -451,7 +451,7 @@ SUBROUTINE coulomb2_new(la_max, npgfa, zeta, la_min, lc_max, npgfc, zetc, lc_min
INTEGER, INTENT(IN), OPTIONAL :: maxder
REAL(KIND=dp), DIMENSION(:, :), OPTIONAL :: vac_plus

CHARACTER(len=*), PARAMETER :: routineN = 'coulomb2_new', routineP = moduleN//':'//routineN
CHARACTER(len=*), PARAMETER :: routineN = 'coulomb2_new'

INTEGER :: ax, ay, az, coc, cocx, cocy, cocz, cx, &
cy, cz, i, ipgf, j, jpgf, la, lc, &
Expand Down Expand Up @@ -816,7 +816,7 @@ SUBROUTINE coulomb3(la_max, npgfa, zeta, rpgfa, la_min, lb_max, npgfb, zetb, rpg
INTEGER, INTENT(IN), OPTIONAL :: maxder
REAL(KIND=dp), DIMENSION(:, :), OPTIONAL :: vabc_plus

CHARACTER(len=*), PARAMETER :: routineN = 'coulomb3', routineP = moduleN//':'//routineN
CHARACTER(len=*), PARAMETER :: routineN = 'coulomb3'

INTEGER :: ax, ay, az, bx, by, bz, coc, cocx, cocy, &
cocz, cx, cy, cz, i, ipgf, j, jpgf, k, &
Expand Down
2 changes: 1 addition & 1 deletion src/aobasis/ai_coulomb_test.F
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Expand Up @@ -41,7 +41,7 @@ SUBROUTINE eri_test(iw)

INTEGER, INTENT(IN) :: iw

CHARACTER(LEN=*), PARAMETER :: routineN = 'eri_test', routineP = moduleN//':'//routineN
CHARACTER(LEN=*), PARAMETER :: routineN = 'eri_test'
INTEGER, PARAMETER :: lmax = 6

CHARACTER(LEN=11), DIMENSION(0:lmax) :: i2g
Expand Down
2 changes: 1 addition & 1 deletion src/aobasis/ai_elec_field.F
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Expand Up @@ -88,7 +88,7 @@ SUBROUTINE efg(la_max, la_min, npgfa, rpgfa, zeta, &
REAL(KIND=dp), DIMENSION(0:ldrr1-1, ldrr2, *), &
INTENT(INOUT) :: rr

CHARACTER(len=*), PARAMETER :: routineN = 'efg', routineP = moduleN//':'//routineN
CHARACTER(len=*), PARAMETER :: routineN = 'efg'

INTEGER :: ax, ay, az, bx, by, bz, coa, coam1x, coam1y, coam1z, coam2x, coam2y, coam2z, &
coamxpy, coamxpz, coamxy, coamxz, coamypx, coamypz, coamyz, coamzpx, coamzpy, coap1x, &
Expand Down
2 changes: 1 addition & 1 deletion src/aobasis/ai_eri_debug.F
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Expand Up @@ -105,7 +105,7 @@ RECURSIVE FUNCTION os(an, bn, cn, dn, mi) RESULT(IABCD)
INTEGER, OPTIONAL :: mi
REAL(dp) :: IABCD

CHARACTER(len=*), PARAMETER :: routineN = 'os', routineP = moduleN//':'//routineN
CHARACTER(len=*), PARAMETER :: routineN = 'os'
INTEGER, DIMENSION(3), PARAMETER :: i1 = (/1, 0, 0/), i2 = (/0, 1, 0/), &
i3 = (/0, 0, 1/)

Expand Down
2 changes: 1 addition & 1 deletion src/aobasis/ai_fermi_contact.F
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Expand Up @@ -77,7 +77,7 @@ SUBROUTINE fermi_contact(la_max, la_min, npgfa, rpgfa, zeta, &
INTEGER, INTENT(IN) :: ldfc
REAL(KIND=dp), DIMENSION(ldfc, *), INTENT(INOUT) :: fcab

CHARACTER(len=*), PARAMETER :: routineN = 'fermi_contact', routineP = moduleN//':'//routineN
CHARACTER(len=*), PARAMETER :: routineN = 'fermi_contact'

INTEGER :: ax, ay, az, bx, by, bz, coa, cob, i, &
ipgf, j, jpgf, la, lb, ma, mb, na, nb
Expand Down
2 changes: 1 addition & 1 deletion src/aobasis/ai_kinetic.F
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Expand Up @@ -67,7 +67,7 @@ SUBROUTINE kinetic(la_max, la_min, npgfa, rpgfa, zeta, &
REAL(KIND=dp), DIMENSION(:, :, :), INTENT(INOUT), &
OPTIONAL :: dab

CHARACTER(len=*), PARAMETER :: routineN = 'kinetic', routineP = moduleN//':'//routineN
CHARACTER(len=*), PARAMETER :: routineN = 'kinetic'

INTEGER :: ax, ay, az, bx, by, bz, coa, cob, ia, &
ib, idx, idy, idz, ipgf, jpgf, la, lb, &
Expand Down
2 changes: 1 addition & 1 deletion src/aobasis/ai_moments.F
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Expand Up @@ -1489,7 +1489,7 @@ SUBROUTINE dipole_force(la_max, npgfa, zeta, rpgfa, la_min, &
REAL(KIND=dp), DIMENSION(:, :), INTENT(IN) :: pab
REAL(KIND=dp), DIMENSION(:, :), INTENT(INOUT) :: forcea, forceb

CHARACTER(LEN=*), PARAMETER :: routineN = 'dipole_force', routineP = moduleN//':'//routineN
CHARACTER(LEN=*), PARAMETER :: routineN = 'dipole_force'

INTEGER :: i, imom, ipgf, j, jpgf, lda, lda_min, &
ldb, ldb_min, lmax, na, nb
Expand Down

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