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/dports/science/quantum-espresso/q-e-qe-6.7.0/Modules/
H A Dlatgen.f90506 cosab = dot_product(a1,a2)/v1/v2
513 IF (eqq(cosab,cosac) .and. eqq(cosab,cosbc)) THEN
515 IF ( eqq(cosab,0.0_dp) ) THEN
535 ELSEIF ( eqq(cosab,cosac) .and. neqq(cosab,cosbc) ) THEN
544 ELSEIF ( eqq(cosab,-cosac) .and. eqq(cosab,cosbc) .and. &
659 celldm(6) = cosab
673 celldm(4) = cosab
710 cosab = celldm(6)
716 cosab = 0.0_dp
724 cosab = celldm(4)
[all …]
H A Ddist.f9035 REAL(dp) :: celldm(6), a, b, c, cosab, cosac, cosbc local
46 CALL celldm2abc ( ibrav, celldm, a,b,c,cosab,cosac,cosbc )
59 celldm(4), cosab
H A Dcell_base.f9025 REAL(DP) :: a, b, c, cosab, cosac, cosbc variable
139 a = a_ ; b = b_ ; c = c_ ; cosab = cosab_ ; cosac = cosac_ ; cosbc = cosbc_
211 CALL abc2celldm ( ibrav, a,b,c,cosab,cosac,cosbc, celldm )
H A Dinput_parameters.f90305 REAL(DP) :: cosab = 0.0_DP variable
626 NAMELIST / system / ibrav, celldm, a, b, c, cosab, cosac, cosbc, nat, & local
/dports/science/py-ase/ase-3.22.0/ase/io/
H A Despresso.py599 cosab = system.get('cosab', 0.0)
624 tx = ((1.0 - cosab) / 2.0)**0.5
625 ty = ((1.0 - cosab) / 6.0)**0.5
626 tz = ((1 + 2 * cosab) / 3.0)**0.5
631 ty = ((1.0 - cosab) / 6.0)**0.5
632 tz = ((1 + 2 * cosab) / 3.0)**0.5
668 sinab = (1.0 - cosab**2)**0.5
678 sinab = (1.0 - cosab**2)**0.5
683 sinab = (1.0 - cosab**2)**0.5
1446 parameters['celldm(4)'] = cosab
[all …]
/dports/science/xcrysden/xcrysden-1.6.2/F/SRC_nn/
H A Ddirlat.f133 BR2(1,2)=0.5d0*cosab
139 BR2(3,2)=0.5d0*cosab
/dports/science/xcrysden/xcrysden-1.6.2/F/
H A Dpwi2xsf.f51 $ a, b, c, cosab, cosac, cosbc, ! lattice parameters
87 $ ibrav, nat, celldm, a, b, c, cosab, cosac, cosbc,
103 cosab = 0.0D0
120 CALL abc2celldm ( ibrav, a,b,c,cosab,cosac,cosbc, celldm )
H A Dlatgen.f90415 REAL(DP), INTENT (in) :: a,b,c, cosab, cosac, cosbc local
421 IF ( abs (cosab) > 1.0_dp) CALL errore('abc2celldm', &
438 celldm(6) = cosab
452 celldm(4) = cosab
/dports/science/quantum-espresso/q-e-qe-6.7.0/PW/tools/
H A Dpwi2xsf.f9062 & a, b, c, cosab, cosac, cosbc ! lattice parameters variable
91 & ibrav, nat, celldm, a, b, c, cosab, cosac, cosbc, & local
105 cosab = 0.0D0
122 celldm(4) = cosab
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dqs_efield_berry.F351 ALLOCATE (cosab(ldab, ldab), sinab(ldab, ldab), work(ldab, ldab))
515 ra, rb, kvec, cosab, sinab, dcosab, dsinab)
525 rb, ra, kvec, cosab, sinab, dcosab, dsinab)
653 DEALLOCATE (cosab, sinab, work, dcosab, dsinab)
837 ALLOCATE (cosab(ldab, ldab), sinab(ldab, ldab), work(ldab, ldab))
998 ra, rb, kvec, cosab, sinab, dcosab, dsinab)
1008 rb, ra, kvec, cosab, sinab, dcosab, dsinab)
1152 DEALLOCATE (cosab, sinab, work, dcosab, dsinab)
1186 cosab, sinab, ldab, work, ldwork) argument
1194 REAL(dp), DIMENSION(:, :), INTENT(IN) :: cosab, sinab local
[all …]
H A Dqs_loc_utils.F722 REAL(KIND=dp), DIMENSION(:, :), POINTER :: cosab, rpgfa, rpgfb, sinab, sphi_a, & local
739 NULLIFY (cosab, sinab, work)
751 ALLOCATE (cosab(ldab, ldab))
752 cosab = 0.0_dp
872 cosab = 0.0_dp
877 ra, rb, kvec, cosab, sinab)
881 cosab, sinab, ldab, work, ldwork)
904 DEALLOCATE (cosab, sinab, work, basis_set_list)
H A Dqs_moments.F870 REAL(dp), DIMENSION(:, :), POINTER :: cblock, cosab, sblock, sinab, work local
901 ALLOCATE (cosab(ldab, ldab))
992 ra, rb, kvec, cosab, sinab)
996 cosab, sinab, ldab, work, ldwork)
1006 DEALLOCATE (cosab)
1041 REAL(dp), DIMENSION(:, :), POINTER :: cblock, cosab, sblock, sinab, work local
1123 ALLOCATE (cosab(ldab, ldab))
1204 ra, rb, kvec, cosab, sinab)
1208 cosab, sinab, ldab, work, ldwork)
1216 DEALLOCATE (cosab)
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dqs_efield_berry.F351 ALLOCATE (cosab(ldab, ldab), sinab(ldab, ldab), work(ldab, ldab))
515 ra, rb, kvec, cosab, sinab, dcosab, dsinab)
525 rb, ra, kvec, cosab, sinab, dcosab, dsinab)
653 DEALLOCATE (cosab, sinab, work, dcosab, dsinab)
837 ALLOCATE (cosab(ldab, ldab), sinab(ldab, ldab), work(ldab, ldab))
998 ra, rb, kvec, cosab, sinab, dcosab, dsinab)
1008 rb, ra, kvec, cosab, sinab, dcosab, dsinab)
1152 DEALLOCATE (cosab, sinab, work, dcosab, dsinab)
1186 cosab, sinab, ldab, work, ldwork) argument
1194 REAL(dp), DIMENSION(:, :), INTENT(IN) :: cosab, sinab local
[all …]
H A Dqs_moments.F575 REAL(dp), DIMENSION(:, :), POINTER :: cblock, cosab, sblock, sinab, work local
606 ALLOCATE (cosab(ldab, ldab))
697 ra, rb, kvec, cosab, sinab)
701 cosab, sinab, ldab, work, ldwork)
711 DEALLOCATE (cosab)
744 REAL(dp), DIMENSION(:, :), POINTER :: cblock, cosab, sblock, sinab, work local
826 ALLOCATE (cosab(ldab, ldab))
907 ra, rb, kvec, cosab, sinab)
911 cosab, sinab, ldab, work, ldwork)
919 DEALLOCATE (cosab)
H A Dqs_loc_utils.F686 REAL(KIND=dp), DIMENSION(:, :), POINTER :: cosab, rpgfa, rpgfb, sinab, sphi_a, & local
706 NULLIFY (cosab, sinab, work)
718 ALLOCATE (cosab(ldab, ldab))
719 cosab = 0.0_dp
843 cosab = 0.0_dp
848 ra, rb, kvec, cosab, sinab)
853 cosab, sinab, ldab, work, ldwork)
876 DEALLOCATE (cosab, sinab, work, basis_set_list)
/dports/science/wannier90/wannier90-3.1.0/examples/example13/
H A Dcnt55.scf17 cosab=0.0
H A Dcnt55.nscf16 cosab=0.0
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/aobasis/
H A Dai_moments.F75 cosab, sinab, ldab, work, ldwork) argument
83 REAL(dp), DIMENSION(:, :), INTENT(IN) :: cosab, sinab local
91 1.0_dp, cosab(1, 1), ldab, &
153 rac, rbc, kvec, cosab, sinab, dcosab, dsinab) argument
161 REAL(KIND=dp), DIMENSION(:, :), INTENT(INOUT) :: cosab, sinab local
200 cosab(1:na, 1:nb) = 0.0_dp
701 cosab(na + i, nb + j) = sc(i, j)
/dports/science/cp2k-data/cp2k-7.1.0/src/aobasis/
H A Dai_moments.F75 cosab, sinab, ldab, work, ldwork) argument
83 REAL(dp), DIMENSION(:, :), INTENT(IN) :: cosab, sinab local
91 1.0_dp, cosab(1, 1), ldab, &
153 rac, rbc, kvec, cosab, sinab, dcosab, dsinab) argument
161 REAL(KIND=dp), DIMENSION(:, :), INTENT(INOUT) :: cosab, sinab local
200 cosab(1:na, 1:nb) = 0.0_dp
701 cosab(na + i, nb + j) = sc(i, j)
/dports/science/quantum-espresso/q-e-qe-6.7.0/CPV/src/
H A Dinput.f90723 rd_ht, a, b, c, cosab, cosac, cosbc, ntyp , nat , &
816 CALL cell_base_init( ibrav, celldm, a, b, c, cosab, cosac, cosbc, &
/dports/science/quantum-espresso/q-e-qe-6.7.0/PW/src/
H A Dinput.f90238 USE input_parameters, ONLY : ibrav, celldm, a, b, c, cosab, cosac, cosbc, &
1460 call cell_base_init ( ibrav, celldm, a, b, c, cosab, cosac, cosbc, &
/dports/lang/gcc6-aux/gcc-6-20180516/gcc/testsuite/gfortran.dg/
H A Dpr41928.f9013 rac,rbc,kvec,cosab,sinab) argument
/dports/lang/gcc12-devel/gcc-12-20211205/gcc/testsuite/gfortran.dg/
H A Dpr41928.f9013 rac,rbc,kvec,cosab,sinab) argument
/dports/lang/gcc8/gcc-8.5.0/gcc/testsuite/gfortran.dg/
H A Dpr41928.f9013 rac,rbc,kvec,cosab,sinab) argument
/dports/lang/gcc10/gcc-10.3.0/gcc/testsuite/gfortran.dg/
H A Dpr41928.f9013 rac,rbc,kvec,cosab,sinab) argument

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