GBTOlib: library for evaluation of molecular integrals in mixed Gaussian / B-spline basis  111
Functions/Subroutines | Variables
lebedev_gbl Module Reference

ZM adapted for the integral library: using the precision parameters from precisn and all occurences of D replaced for E.._cfp The credit for this module goes to: John Burkardt, Vyacheslav Lebedev, Dmitri Laikov. More...

Functions/Subroutines

integer function available_table (rule)
 
subroutine gen_oh (code, num, a, b, v, x, y, z, w)
 
subroutine ld_by_order (order, x, y, z, w)
 
subroutine ld0006 (x, y, z, w)
 
subroutine ld0014 (x, y, z, w)
 
subroutine ld0026 (x, y, z, w)
 
subroutine ld0038 (x, y, z, w)
 
subroutine ld0050 (x, y, z, w)
 
subroutine ld0074 (x, y, z, w)
 
subroutine ld0086 (x, y, z, w)
 
subroutine ld0110 (x, y, z, w)
 
subroutine ld0146 (x, y, z, w)
 
subroutine ld0170 (x, y, z, w)
 
subroutine ld0194 (x, y, z, w)
 
subroutine ld0230 (x, y, z, w)
 
subroutine ld0266 (x, y, z, w)
 
subroutine ld0302 (x, y, z, w)
 
subroutine ld0350 (x, y, z, w)
 
subroutine ld0434 (x, y, z, w)
 
subroutine ld0590 (x, y, z, w)
 
subroutine ld0770 (x, y, z, w)
 
subroutine ld0974 (x, y, z, w)
 
subroutine ld1202 (x, y, z, w)
 
subroutine ld1454 (x, y, z, w)
 
subroutine ld1730 (x, y, z, w)
 
subroutine ld2030 (x, y, z, w)
 
subroutine ld2354 (x, y, z, w)
 
subroutine ld2702 (x, y, z, w)
 
subroutine ld3074 (x, y, z, w)
 
subroutine ld3470 (x, y, z, w)
 
subroutine ld3890 (x, y, z, w)
 
subroutine ld4334 (x, y, z, w)
 
subroutine ld4802 (x, y, z, w)
 
subroutine ld5294 (x, y, z, w)
 
subroutine ld5810 (x, y, z, w)
 
integer function order_table (rule)
 
integer function precision_table (rule)
 
subroutine xyz_to_tp (x, y, z, t, p)
 

Variables

integer, parameter rule_max = 65
 Order of the largest available rule. More...
 
integer, parameter mmax = ( ( rule_max * 2 + 3 ) * ( rule_max * 2 + 3 ) / 3 )
 Dimensioning parameters for arrays of weights and abscissas. More...
 

Detailed Description

ZM adapted for the integral library: using the precision parameters from precisn and all occurences of D replaced for E.._cfp The credit for this module goes to: John Burkardt, Vyacheslav Lebedev, Dmitri Laikov.

Function/Subroutine Documentation

◆ available_table()

integer function lebedev_gbl::available_table ( integer  rule)

◆ gen_oh()

subroutine lebedev_gbl::gen_oh ( integer  code,
integer  num,
real(kind=cfp)  a,
real(kind=cfp)  b,
real(kind=cfp)  v,
real(kind=cfp), dimension(*)  x,
real(kind=cfp), dimension(*)  y,
real(kind=cfp), dimension(*)  z,
real(kind=cfp), dimension(*)  w 
)

◆ ld0006()

subroutine lebedev_gbl::ld0006 ( real(kind=cfp), dimension(6)  x,
real(kind=cfp), dimension(6)  y,
real(kind=cfp), dimension(6)  z,
real(kind=cfp), dimension(6)  w 
)
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◆ ld0014()

subroutine lebedev_gbl::ld0014 ( real(kind=cfp), dimension(14)  x,
real(kind=cfp), dimension(14)  y,
real(kind=cfp), dimension(14)  z,
real(kind=cfp), dimension(14)  w 
)
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◆ ld0026()

subroutine lebedev_gbl::ld0026 ( real(kind=cfp), dimension(26)  x,
real(kind=cfp), dimension(26)  y,
real(kind=cfp), dimension(26)  z,
real(kind=cfp), dimension(26)  w 
)
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◆ ld0038()

subroutine lebedev_gbl::ld0038 ( real(kind=cfp), dimension(38)  x,
real(kind=cfp), dimension(38)  y,
real(kind=cfp), dimension(38)  z,
real(kind=cfp), dimension(38)  w 
)
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◆ ld0050()

subroutine lebedev_gbl::ld0050 ( real(kind=cfp), dimension(50)  x,
real(kind=cfp), dimension(50)  y,
real(kind=cfp), dimension(50)  z,
real(kind=cfp), dimension(50)  w 
)
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◆ ld0074()

subroutine lebedev_gbl::ld0074 ( real(kind=cfp), dimension(74)  x,
real(kind=cfp), dimension(74)  y,
real(kind=cfp), dimension(74)  z,
real(kind=cfp), dimension(74)  w 
)
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◆ ld0086()

subroutine lebedev_gbl::ld0086 ( real(kind=cfp), dimension(86)  x,
real(kind=cfp), dimension(86)  y,
real(kind=cfp), dimension(86)  z,
real(kind=cfp), dimension(86)  w 
)
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◆ ld0110()

subroutine lebedev_gbl::ld0110 ( real(kind=cfp), dimension(110)  x,
real(kind=cfp), dimension(110)  y,
real(kind=cfp), dimension(110)  z,
real(kind=cfp), dimension(110)  w 
)
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◆ ld0146()

subroutine lebedev_gbl::ld0146 ( real(kind=cfp), dimension(146)  x,
real(kind=cfp), dimension(146)  y,
real(kind=cfp), dimension(146)  z,
real(kind=cfp), dimension(146)  w 
)
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◆ ld0170()

subroutine lebedev_gbl::ld0170 ( real(kind=cfp), dimension(170)  x,
real(kind=cfp), dimension(170)  y,
real(kind=cfp), dimension(170)  z,
real(kind=cfp), dimension(170)  w 
)
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◆ ld0194()

subroutine lebedev_gbl::ld0194 ( real(kind=cfp), dimension(194)  x,
real(kind=cfp), dimension(194)  y,
real(kind=cfp), dimension(194)  z,
real(kind=cfp), dimension(194)  w 
)
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◆ ld0230()

subroutine lebedev_gbl::ld0230 ( real(kind=cfp), dimension(230)  x,
real(kind=cfp), dimension(230)  y,
real(kind=cfp), dimension(230)  z,
real(kind=cfp), dimension(230)  w 
)
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◆ ld0266()

subroutine lebedev_gbl::ld0266 ( real(kind=cfp), dimension(266)  x,
real(kind=cfp), dimension(266)  y,
real(kind=cfp), dimension(266)  z,
real(kind=cfp), dimension(266)  w 
)
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◆ ld0302()

subroutine lebedev_gbl::ld0302 ( real(kind=cfp), dimension(302)  x,
real(kind=cfp), dimension(302)  y,
real(kind=cfp), dimension(302)  z,
real(kind=cfp), dimension(302)  w 
)
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◆ ld0350()

subroutine lebedev_gbl::ld0350 ( real(kind=cfp), dimension(350)  x,
real(kind=cfp), dimension(350)  y,
real(kind=cfp), dimension(350)  z,
real(kind=cfp), dimension(350)  w 
)
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◆ ld0434()

subroutine lebedev_gbl::ld0434 ( real(kind=cfp), dimension(434)  x,
real(kind=cfp), dimension(434)  y,
real(kind=cfp), dimension(434)  z,
real(kind=cfp), dimension(434)  w 
)
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◆ ld0590()

subroutine lebedev_gbl::ld0590 ( real(kind=cfp), dimension(590)  x,
real(kind=cfp), dimension(590)  y,
real(kind=cfp), dimension(590)  z,
real(kind=cfp), dimension(590)  w 
)
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◆ ld0770()

subroutine lebedev_gbl::ld0770 ( real(kind=cfp), dimension(770)  x,
real(kind=cfp), dimension(770)  y,
real(kind=cfp), dimension(770)  z,
real(kind=cfp), dimension(770)  w 
)
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◆ ld0974()

subroutine lebedev_gbl::ld0974 ( real(kind=cfp), dimension(974)  x,
real(kind=cfp), dimension(974)  y,
real(kind=cfp), dimension(974)  z,
real(kind=cfp), dimension(974)  w 
)
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◆ ld1202()

subroutine lebedev_gbl::ld1202 ( real(kind=cfp), dimension(1202)  x,
real(kind=cfp), dimension(1202)  y,
real(kind=cfp), dimension(1202)  z,
real(kind=cfp), dimension(1202)  w 
)
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◆ ld1454()

subroutine lebedev_gbl::ld1454 ( real(kind=cfp), dimension(1454)  x,
real(kind=cfp), dimension(1454)  y,
real(kind=cfp), dimension(1454)  z,
real(kind=cfp), dimension(1454)  w 
)
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◆ ld1730()

subroutine lebedev_gbl::ld1730 ( real(kind=cfp), dimension(1730)  x,
real(kind=cfp), dimension(1730)  y,
real(kind=cfp), dimension(1730)  z,
real(kind=cfp), dimension(1730)  w 
)
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◆ ld2030()

subroutine lebedev_gbl::ld2030 ( real(kind=cfp), dimension(2030)  x,
real(kind=cfp), dimension(2030)  y,
real(kind=cfp), dimension(2030)  z,
real(kind=cfp), dimension(2030)  w 
)
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◆ ld2354()

subroutine lebedev_gbl::ld2354 ( real(kind=cfp), dimension(2354)  x,
real(kind=cfp), dimension(2354)  y,
real(kind=cfp), dimension(2354)  z,
real(kind=cfp), dimension(2354)  w 
)
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◆ ld2702()

subroutine lebedev_gbl::ld2702 ( real(kind=cfp), dimension(2702)  x,
real(kind=cfp), dimension(2702)  y,
real(kind=cfp), dimension(2702)  z,
real(kind=cfp), dimension(2702)  w 
)
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◆ ld3074()

subroutine lebedev_gbl::ld3074 ( real(kind=cfp), dimension(3074)  x,
real(kind=cfp), dimension(3074)  y,
real(kind=cfp), dimension(3074)  z,
real(kind=cfp), dimension(3074)  w 
)
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◆ ld3470()

subroutine lebedev_gbl::ld3470 ( real(kind=cfp), dimension(3470)  x,
real(kind=cfp), dimension(3470)  y,
real(kind=cfp), dimension(3470)  z,
real(kind=cfp), dimension(3470)  w 
)
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◆ ld3890()

subroutine lebedev_gbl::ld3890 ( real(kind=cfp), dimension(3890)  x,
real(kind=cfp), dimension(3890)  y,
real(kind=cfp), dimension(3890)  z,
real(kind=cfp), dimension(3890)  w 
)
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◆ ld4334()

subroutine lebedev_gbl::ld4334 ( real(kind=cfp), dimension(4334)  x,
real(kind=cfp), dimension(4334)  y,
real(kind=cfp), dimension(4334)  z,
real(kind=cfp), dimension(4334)  w 
)
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◆ ld4802()

subroutine lebedev_gbl::ld4802 ( real(kind=cfp), dimension(4802)  x,
real(kind=cfp), dimension(4802)  y,
real(kind=cfp), dimension(4802)  z,
real(kind=cfp), dimension(4802)  w 
)
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◆ ld5294()

subroutine lebedev_gbl::ld5294 ( real(kind=cfp), dimension(5294)  x,
real(kind=cfp), dimension(5294)  y,
real(kind=cfp), dimension(5294)  z,
real(kind=cfp), dimension(5294)  w 
)
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◆ ld5810()

subroutine lebedev_gbl::ld5810 ( real(kind=cfp), dimension(5810)  x,
real(kind=cfp), dimension(5810)  y,
real(kind=cfp), dimension(5810)  z,
real(kind=cfp), dimension(5810)  w 
)
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◆ ld_by_order()

subroutine lebedev_gbl::ld_by_order ( integer  order,
real(kind=cfp), dimension(order)  x,
real(kind=cfp), dimension(order)  y,
real(kind=cfp), dimension(order)  z,
real(kind=cfp), dimension(order)  w 
)
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◆ order_table()

integer function lebedev_gbl::order_table ( integer  rule)

◆ precision_table()

integer function lebedev_gbl::precision_table ( integer  rule)

◆ xyz_to_tp()

subroutine lebedev_gbl::xyz_to_tp ( real(kind=cfp)  x,
real(kind=cfp)  y,
real(kind=cfp)  z,
real(kind=cfp)  t,
real(kind=cfp)  p 
)
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Variable Documentation

◆ mmax

integer, parameter lebedev_gbl::mmax = ( ( rule_max * 2 + 3 ) * ( rule_max * 2 + 3 ) / 3 )

Dimensioning parameters for arrays of weights and abscissas.

◆ rule_max

integer, parameter lebedev_gbl::rule_max = 65

Order of the largest available rule.

Warning
Note that this parameter is replicated in many of the subroutines in this module so these must always be the same as this one.