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der_r.f90
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der_r.f90
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MODULE DERIVATIVES
USE MPIINFO
USE DECLARATION
IMPLICIT NONE
CONTAINS
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
REAL FUNCTION DFX(XD1,YD1,ZD1,NDERIVATIVE)
IMPLICIT NONE
INTEGER,INTENT(IN)::NDERIVATIVE
REAL,INTENT(IN)::XD1,YD1,ZD1
REAL::S
S=0.0D0
SELECTCASE (NDERIVATIVE)
CASE(1)
S=1.0d0
CASE(4)
S=2.0d0*XD1
CASE(5)
S=YD1
CASE(7)
S=ZD1
CASE(10)
S=3.d0*XD1**2
CASE(11)
S=2.d0*XD1*YD1
CASE(12)
S=YD1**2
CASE(14)
S=2.d0*XD1*ZD1
CASE(15)
S=YD1*ZD1
CASE(17)
S=ZD1**2
CASE(20)
S=4.d0*XD1**3
CASE(21)
S=3.d0*XD1**2*YD1
CASE(22)
S=2.d0*XD1*YD1**2
CASE(23)
S=YD1**3
CASE(25)
S=3.d0*XD1**2*ZD1
CASE(26)
S=2.d0*XD1*YD1*ZD1
CASE(27)
S=YD1**2*ZD1
CASE(29)
S=2.d0*XD1*ZD1**2
CASE(30)
S=YD1*ZD1**2
CASE(32)
S=ZD1**3
CASE(35)
S=5.d0*XD1**4
CASE(36)
S=4.d0*XD1**3*YD1
CASE(37)
S=3.d0*XD1**2*YD1**2
CASE(38)
S=2.d0*XD1*YD1**3
CASE(39)
S=YD1**4
CASE(41)
S=4.d0*XD1**3*ZD1
CASE(42)
S=3.d0*XD1**2*YD1*ZD1
CASE(43)
S=2.d0*XD1*YD1**2*ZD1
CASE(44)
S=YD1**3*ZD1
CASE(46)
S=3.d0*XD1**2*ZD1**2
CASE(47)
S=2.d0*XD1*YD1*ZD1**2
CASE(48)
S=YD1**2*ZD1**2
CASE(50)
S=2.d0*XD1*ZD1**3
CASE(51)
S=YD1*ZD1**3
CASE(53)
S=ZD1**4
CASE(56)
S=6.d0*XD1**5
CASE(57)
S=5.d0*XD1**4*YD1
CASE(58)
S=4.d0*XD1**3*YD1**2
CASE(59)
S=3.d0*XD1**2*YD1**3
CASE(60)
S=2.d0*XD1*YD1**4
CASE(61)
S=YD1**5
CASE(63)
S=5.d0*XD1**4*ZD1
CASE(64)
S=4.d0*XD1**3*YD1*ZD1
CASE(65)
S=3.d0*XD1**2*YD1**2*ZD1
CASE(66)
S=2.d0*XD1*YD1**3*ZD1
CASE(67)
S=YD1**4*ZD1
CASE(69)
S=4.d0*XD1**3*ZD1**2
CASE(70)
S=3.d0*XD1**2*YD1*ZD1**2
CASE(71)
S=2.d0*XD1*YD1**2*ZD1**2
CASE(72)
S=YD1**3*ZD1**2
CASE(74)
S=3.d0*XD1**2*ZD1**3
CASE(75)
S=2.d0*XD1*YD1*ZD1**3
CASE(76)
S=YD1**2*ZD1**3
CASE(78)
S=2.d0*XD1*ZD1**4
CASE(79)
S=YD1*ZD1**4
CASE(81)
S=ZD1**5
CASE DEFAULT
S=0.0
END SELECT
DFX=S
END FUNCTION DFX
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
REAL FUNCTION DFY(XD1,YD1,ZD1,NDERIVATIVE)
IMPLICIT NONE
INTEGER,INTENT(IN)::NDERIVATIVE
REAL,INTENT(IN)::XD1,YD1,ZD1
REAL::S
S=0.0D0
SELECTCASE (NDERIVATIVE)
CASE(2)
S=1d0
CASE(5)
S=XD1
CASE(6)
S=2.d0*YD1
CASE(8)
S=ZD1
CASE(11)
S=XD1**2
CASE(12)
S=2.d0*XD1*YD1
case(13)
S=3.0D0*YD1**2
CASE(15)
S=XD1*ZD1
CASE(16)
S=2.d0*YD1*ZD1
CASE(18)
S=ZD1**2
CASE(21)
S=XD1**3
CASE(22)
S=2.d0*XD1**2*YD1
CASE(23)
S=3.d0*XD1*YD1**2
CASE(24)
S=4.d0*YD1**3
CASE(26)
S=XD1**2*ZD1
CASE(27)
S=2.d0*XD1*YD1*ZD1
CASE(28)
S=3.d0*YD1**2*ZD1
CASE(30)
S=XD1*ZD1**2
CASE(31)
S=2.d0*YD1*ZD1**2
CASE(33)
S=ZD1**3
CASE(36)
S=XD1**4
CASE(37)
S=2.d0*XD1**3*YD1
CASE(38)
S=3.d0*XD1**2*YD1**2
CASE(39)
S=4.d0*XD1*YD1**3
CASE(40)
S=5.d0*YD1**4
CASE(42)
S=XD1**3*ZD1
CASE(43)
S=2.d0*XD1**2*YD1*ZD1
CASE(44)
S=3.d0*XD1*YD1**2*ZD1
CASE(45)
S=4.d0*YD1**3*ZD1
CASE(47)
S=XD1**2*ZD1**2
CASE(48)
S=2.d0*XD1*YD1*ZD1**2
CASE(49)
S=3.d0*YD1**2*ZD1**2
CASE(51)
S=XD1*ZD1**3
CASE(52)
S=2.d0*YD1*ZD1**3
CASE(54)
S=ZD1**4
CASE(57)
S=XD1**5
CASE(58)
S=2.d0*XD1**4*YD1
CASE(59)
S=3.d0*XD1**3*YD1**2
CASE(60)
S=4.d0*XD1**2*YD1**3
CASE(61)
S=5.d0*XD1*YD1**4
CASE(62)
S=6.d0*YD1**5
CASE(64)
S=XD1**4*ZD1
CASE(65)
S=2.d0*XD1**3*YD1*ZD1
CASE(66)
S=3.d0*XD1**2*YD1**2*ZD1
CASE(67)
S=4.d0*XD1*YD1**3*ZD1
CASE(68)
S=5.d0*YD1**4*ZD1
CASE(70)
S=XD1**3*ZD1**2
CASE(71)
S=2.d0*XD1**2*YD1*ZD1**2
CASE(72)
S=3.d0*XD1*YD1**2*ZD1**2
CASE(73)
S=4.d0*YD1**3*ZD1**2
CASE(75)
S=XD1**2*ZD1**3
CASE(76)
S=2.d0*XD1*YD1*ZD1**3
CASE(77)
S=3.d0*YD1**2*ZD1**3
CASE(79)
S=XD1*ZD1**4
CASE(80)
S=2.d0*YD1*ZD1**4
CASE(82)
S=ZD1**5
CASE DEFAULT
S=0.0D0
END SELECT
DFY=S
END FUNCTION DFY
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
REAL FUNCTION DFZ(XD1,YD1,ZD1,NDERIVATIVE)
IMPLICIT NONE
INTEGER,INTENT(IN)::NDERIVATIVE
REAL,INTENT(IN)::XD1,YD1,ZD1
REAL::S
S=0.0D0
SELECTCASE (NDERIVATIVE)
CASE (3)
S=1
CASE (7)
S=XD1
CASE (8)
S=YD1
CASE (9)
S=2.d0*ZD1
CASE (14)
S=XD1**2
CASE (15)
S=XD1*YD1
CASE (16)
S=YD1**2
CASE (17)
S=2.d0*XD1*ZD1
CASE (18)
S=2.d0*YD1*ZD1
CASE (19)
S=3.d0*ZD1**2
CASE (25)
S=XD1**3
CASE (26)
S=XD1**2*YD1
CASE (27)
S=XD1*YD1**2
CASE (28)
S=YD1**3
CASE (29)
S=2.d0*XD1**2*ZD1
CASE (30)
S=2.d0*XD1*YD1*ZD1
CASE (31)
S=2.d0*YD1**2*ZD1
CASE (32)
S=3.d0*XD1*ZD1**2
CASE (33)
S=3.d0*YD1*ZD1**2
CASE (34)
S=4.d0*ZD1**3
S=XD1**4
CASE (42)
S=XD1**3*YD1
CASE (43)
S=XD1**2*YD1**2
CASE (44)
S=XD1*YD1**3
CASE (45)
S=YD1**4
CASE (46)
S=2.d0*XD1**3*ZD1
CASE (47)
S=2.d0*XD1**2*YD1*ZD1
CASE (48)
S=2.d0*XD1*YD1**2*ZD1
CASE (49)
S=2.d0*YD1**3*ZD1
CASE (50)
S=3.d0*XD1**2*ZD1**2
CASE (51)
S=3.d0*XD1*YD1*ZD1**2
CASE (52)
S=3.d0*YD1**2*ZD1**2
CASE (53)
S=4.d0*XD1*ZD1**3
CASE (54)
S=4.d0*YD1*ZD1**3
CASE (55)
S=5.d0*ZD1**4
S=XD1**5
CASE (64)
S=XD1**4*YD1
CASE (65)
S=XD1**3*YD1**2
CASE (66)
S=XD1**2*YD1**3
CASE (67)
S=XD1*YD1**4
CASE (68)
S=YD1**5
CASE (69)
S=2.d0*XD1**4*ZD1
CASE (70)
S=2.d0*XD1**3*YD1*ZD1
CASE (71)
S=2.d0*XD1**2*YD1**2*ZD1
CASE (72)
S=2.d0*XD1*YD1**3*ZD1
CASE (73)
S=2.d0*YD1**4*ZD1
CASE (74)
S=3.d0*XD1**3*ZD1**2
CASE (75)
S=3.d0*XD1**2*YD1*ZD1**2
CASE (76)
S=3.d0*XD1*YD1**2*ZD1**2
CASE (77)
S=3.d0*YD1**3*ZD1**2
CASE (78)
S=4.d0*XD1**2*ZD1**3
CASE (79)
S=4.d0*XD1*YD1*ZD1**3
CASE (80)
S=4.d0*YD1**2*ZD1**3
CASE (81)
S=5.d0*XD1*ZD1**4
CASE (82)
S=5.d0*YD1*ZD1**4
CASE (83)
S=6.d0*ZD1**5
case default
s=0.0d0
END SELECT
DFZ=S
END FUNCTION DFZ
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
REAL FUNCTION DFX2(XD1,YD1,ZD1,NDERIVATIVE)
IMPLICIT NONE
INTEGER,INTENT(IN)::NDERIVATIVE
REAL,INTENT(IN)::XD1,YD1,ZD1
REAL::S
S=0.0D0
SELECTCASE (NDERIVATIVE)
CASE(1)
S=0.0D0
CASE(2)
S=0.0D0
CASE(3)
S=0.0D0
CASE(4)
S=2
CASE(5)
S=0.0D0
CASE(6)
S=0.0D0
CASE(7)
S=0.0D0
CASE(8)
S=0.0D0
CASE(9)
S=0.0D0
CASE(10)
S=6.d0*XD1
CASE(11)
S=2.d0*YD1
CASE(12)
S=0.0D0
CASE(13)
S=0.0D0
CASE(14)
S=2.d0*ZD1
CASE(15)
S=0.0D0
CASE(16)
S=0.0D0
CASE(17)
S=0.0D0
CASE(18)
S=0.0D0
CASE(19)
S=0.0D0
CASE(20)
S=12.d0*XD1**2
CASE(21)
S=6.d0*XD1*YD1
CASE(22)
S=2.d0*YD1**2
CASE(23)
S=0.0D0
CASE(24)
S=0.0D0
CASE(25)
S=6.d0*XD1*ZD1
CASE(26)
S=2.d0*YD1*ZD1
CASE(27)
S=0.0D0
CASE(28)
S=0.0D0
CASE(29)
S=2.d0*ZD1**2
CASE(30)
S=0.0D0
CASE(31)
S=0.0D0
CASE(32)
S=0.0D0
CASE(33)
S=0.0D0
CASE(34)
S=0.0D0
CASE(35)
S=20*XD1**3
CASE(36)
S=12.d0*XD1**2*YD1
CASE(37)
S=6.d0*XD1*YD1**2
CASE(38)
S=2.d0*YD1**3
CASE(39)
S=0.0D0
CASE(40)
S=0.0D0
CASE(41)
S=12.d0*XD1**2*ZD1
CASE(42)
S=6.d0*XD1*YD1*ZD1
CASE(43)
S=2.d0*YD1**2*ZD1
CASE(44)
S=0.0D0
CASE(45)
S=0.0D0
CASE(46)
S=6.d0*XD1*ZD1**2
CASE(47)
S=2.d0*YD1*ZD1**2
CASE(48)
S=0.0D0
CASE(49)
S=0.0D0
CASE(50)
S=2.d0*ZD1**3
CASE(51)
S=0.0D0
CASE(52)
S=0.0D0
CASE(53)
S=0.0D0
CASE(54)
S=0.0D0
CASE(55)
S=0.0D0
CASE(56)
S=30*XD1**4
CASE(57)
S=20*XD1**3*YD1
CASE(58)
S=12.d0*XD1**2*YD1**2
CASE(59)
S=6.d0*XD1*YD1**3
CASE(60)
S=2.d0*YD1**4
CASE(61)
S=0.0D0
CASE(62)
S=0.0D0
CASE(63)
S=20*XD1**3*ZD1
CASE(64)
S=12.d0*XD1**2*YD1*ZD1
CASE(65)
S=6.d0*XD1*YD1**2*ZD1
CASE(66)
S=2.d0*YD1**3*ZD1
CASE(67)
S=0.0D0
CASE(68)
S=0.0D0
CASE(69)
S=12.d0*XD1**2*ZD1**2
CASE(70)
S=6.d0*XD1*YD1*ZD1**2
CASE(71)
S=2.d0*YD1**2*ZD1**2
CASE(72)
S=0.0D0
CASE(73)
S=0.0D0
CASE(74)
S=6.d0*XD1*ZD1**3
CASE(75)
S=2.d0*YD1*ZD1**3
CASE(76)
S=0.0D0
CASE(77)
S=0.0D0
CASE(78)
S=2.d0*ZD1**4
CASE(79)
S=0.0D0
CASE(80)
S=0.0D0
CASE(81)
S=0.0D0
CASE(82)
S=0.0D0
CASE(83)
S=0.0D0
END SELECT
DFX2=S
END FUNCTION DFX2
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
REAL FUNCTION DFY2(XD1,YD1,ZD1,NDERIVATIVE)
IMPLICIT NONE
INTEGER,INTENT(IN)::NDERIVATIVE
REAL,INTENT(IN)::XD1,YD1,ZD1
REAL::S
S=0.0D0
SELECTCASE (NDERIVATIVE)
CASE(1)
S=0.0D0
CASE(2)
S=0.0D0
CASE(3)
S=0.0D0
CASE(4)
S=0.0D0
CASE(5)
S=0.0D0
CASE(6)
S=2
CASE(7)
S=0.0D0
CASE(8)
S=0.0D0
CASE(9)
S=0.0D0
CASE(10)
S=0.0D0
CASE(11)
S=0.0D0
CASE(12)
S=2.d0*XD1
CASE(13)
S=6.d0*YD1
CASE(14)
S=0.0D0
CASE(15)
S=0.0D0
CASE(16)
S=2.d0*ZD1
CASE(17)
S=0.0D0
CASE(18)
S=0.0D0
CASE(19)
S=0.0D0
CASE(20)
S=0.0D0
CASE(21)
S=0.0D0
CASE(22)
S=2.d0*XD1**2
CASE(23)
S=6.d0*XD1*YD1
CASE(24)
S=12.d0*YD1**2
CASE(25)
S=0.0D0
CASE(26)
S=0.0D0
CASE(27)
S=2.d0*XD1*ZD1
CASE(28)
S=6.d0*YD1*ZD1
CASE(29)
S=0.0D0
CASE(30)
S=0.0D0
CASE(31)
S=2.d0*ZD1**2
CASE(32)
S=0.0D0
CASE(33)
S=0.0D0
CASE(34)