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. | |
| integer, parameter | mmax = ( ( rule_max * 2 + 3 ) * ( rule_max * 2 + 3 ) / 3 ) |
| Dimensioning parameters for arrays of weights and abscissas. | |
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 | ) |
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◆ 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 | ) |
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◆ precision_table()
| integer function lebedev_gbl::precision_table | ( | integer | rule | ) |
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◆ 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
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.
Generated on for GBTOlib: library for evaluation of molecular integrals in mixed Gaussian / B-spline basis by
1.14.0