derf -> erf

This commit is contained in:
Jeff Hammond 2023-10-16 09:48:23 +03:00
parent 8efa596321
commit f9cfbc7096
4 changed files with 9 additions and 10 deletions

View file

@ -61,7 +61,7 @@ c
double precision a_first,a2_first,btmp_first, btmp1
c
double precision sqrt_pi,t1,t2,t3,t4,t5,t6,t7
double precision alpha,beta, DERF
double precision alpha,beta
double precision f10, f01, b_first
Parameter (sqrt_pi = 1.77245385090552d0)
@ -132,7 +132,7 @@ c write(luout,*) 'a is medium'
c stop
b = exp(-1d0/(4d0*a*a)) - 1d0
c = 2d0*a*a*b + 0.5d0
btmp = (8d0/3d0)*a*(sqrt_pi*DERF(1/(2d0*a)) + 2d0*a*(b-c))
btmp = (8d0/3d0)*a*(sqrt_pi*ERF(1/(2d0*a)) + 2d0*a*(b-c))
t1 = 1/a
t2 = a*a
t3 = 1/t2
@ -141,7 +141,7 @@ c stop
t6 = t4 -2d0*t2*t5 - 1.5d0
btmp_first = -t7*a *
& (2*a*(t4/(2*a**3) - 4d0*a*t5 - t1*t4) + 2d0*t6 -t3*t4) -
& t7*(2*a*t6 + sqrt_pi*DERF(0.5d0*t1))
& t7*(2*a*t6 + sqrt_pi*ERF(0.5d0*t1))
else
c write(luout,*) 'a is large'
c stop

View file

@ -192,7 +192,7 @@ c
implicit none
double precision q,TwoSqrtPi,OneOverQ,q2,DERF
double precision q,TwoSqrtPi,OneOverQ,q2
double precision nwpwxc_ValueOfPi
OneOverQ = 1.0d0/q
@ -209,7 +209,7 @@ c
return
end if
nwpwxc_HqBNL=1.0d0-q*2.0d0/3.0d0*(TwoSqrtPi*DERF(OneOverQ)-q+
nwpwxc_HqBNL=1.0d0-q*2.0d0/3.0d0*(TwoSqrtPi*ERF(OneOverQ)-q+
$ q*(q2-2.0d0)*(1.0d0-exp(-OneOverQ*OneOverQ)))
return
@ -265,7 +265,7 @@ c
implicit none
double precision q,OneOverQ,q2,q3,DERF
double precision q,OneOverQ,q2,q3
double precision nwpwxc_ValueOfPi
OneOverQ = 1.0d0/q
@ -280,7 +280,7 @@ c
nwpwxc_HqBNLPrime = 4.0d0/3.0d0*(q*(exp(-OneOverQ*OneOverQ)*
$ (2.0d0*q2-1.0d0)+(3.0d0-2.0d0*q2))-dsqrt(nwpwxc_ValueOfPi())*
$ DERF(OneOverQ))
$ ERF(OneOverQ))
return
end

View file

@ -1785,8 +1785,8 @@ c
tmu2 = tmu*tmu
tmu3 = tmu*tmu2
c
W = DExp(-F1o4/tmu2)
ERFV = DErf( F1o2/tmu)
W = Exp(-F1o4/tmu2)
ERFV = Erf( F1o2/tmu)
dtmudR = -F1o3*tmu / Rho
c
Fsr = F1-F4o3*tmu*(-F6*tmu+F8*tmu3+W*

View file

@ -563,7 +563,6 @@ c
logical stat
logical oprint_energies
c
double precision derf
logical util_io_unit
external util_io_unit
c