
Test       : Basic: derivatives
TestGroups : all; basic
Enabled    : Yes


Input: 02-derivatives.01-splines.inp

match ; Gaussian: fp(r1)    ; LINE(nt/gaussian/derivs, 1,    56) ; 3.33278812E-002; 1e-12
match ; Gaussian: fp(r700)  ; LINE(nt/gaussian/derivs, 700,  56) ; 3.62217952E-002; 1e-12
match ; Gaussian: fpp(r1)   ; LINE(nt/gaussian/derivs, 1,    92) ; 0.00000000E+000; 1e-12
match ; Gaussian: fpp(r700) ; LINE(nt/gaussian/derivs, 700,  92) ; 9.53247158E-002; 4e-10

match ; Coulomb potential: fp(r1)    ; LINE(nt/coulomb_potential/derivs, 1,    56) ; 9.93304711E+009; 1e-12
match ; Coulomb potential: fp(r700)  ; LINE(nt/coulomb_potential/derivs, 700,  56) ; 1.01158777E+003; 1e-12
match ; Coulomb potential: fp(rmax)  ; LINE(nt/coulomb_potential/derivs, 1400, 56) ; 1.00660680E-004; 1e-12
match ; Coulomb potential: fpp(r1)   ; LINE(nt/coulomb_potential/derivs, 1,    92) ; 0.00000000E+000; 1e-12
match ; Coulomb potential: fpp(r700) ; LINE(nt/coulomb_potential/derivs, 700,  92) ; -6.43395043E+004; 1e-12
match ; Coulomb potential: fpp(rmax) ; LINE(nt/coulomb_potential/derivs, 1400, 92) ; 0.00000000E+000; 1e-12

match ; H density: fp(r1)    ; LINE(nt/h_density/derivs, 1,    56) ; -7.99983946E+000; 1e-12
match ; H density: fp(r700)  ; LINE(nt/h_density/derivs, 700,  56) ; -7.51243218E+000; 1e-12
match ; H density: fp(rmax)  ; LINE(nt/h_density/derivs, 1400, 56) ; -1.48617394E-086; 1e-12
match ; H density: fpp(r1)   ; LINE(nt/h_density/derivs, 1,    92) ; 0.00000000E+000; 1e-12
match ; H density: fpp(r700) ; LINE(nt/h_density/derivs, 700,  92) ; 1.50248637E+001; 1e-12
match ; H density: fpp(rmax) ; LINE(nt/h_density/derivs, 1400, 92) ; 0.00000000E+000; 1e-12



Input: 02-derivatives.02-finite_diff.inp

match ; Gaussian: fp(r1)    ; LINE(nt/gaussian/derivs, 1,    56) ; 3.33278770E-002; 2e-09
match ; Gaussian: fp(r700)  ; LINE(nt/gaussian/derivs, 700,  56) ; 3.62217952E-002; 1e-12
match ; Gaussian: fp(rmax)  ; LINE(nt/gaussian/derivs, 1400, 56) ; 0.00000000E+000; 1e-12
match ; Gaussian: fpp(r1)   ; LINE(nt/gaussian/derivs, 1,    92) ; 1.24267578E-001; 7e-03
match ; Gaussian: fpp(r700) ; LINE(nt/gaussian/derivs, 700,  92) ; 9.53247197E-002; 3e-10
match ; Gaussian: fpp(rmax) ; LINE(nt/gaussian/derivs, 1400, 92) ; 0.00000000E+000; 1e-12

match ; Coulomb potential: fp(r1)    ; LINE(nt/coulomb_potential/derivs, 1,    56) ; 1.00000000E+010; 1e-12
match ; Coulomb potential: fp(r700)  ; LINE(nt/coulomb_potential/derivs, 700,  56) ; 1.01158778E+003; 1e-12
match ; Coulomb potential: fp(rmax)  ; LINE(nt/coulomb_potential/derivs, 1400, 56) ; 1.00000000E-004; 1e-12
match ; Coulomb potential: fpp(r1)   ; LINE(nt/coulomb_potential/derivs, 1,    92) ; -2.00000000E+015; 1e-12
match ; Coulomb potential: fpp(r700) ; LINE(nt/coulomb_potential/derivs, 700,  92) ; -6.43480450E+004; 1e-12
match ; Coulomb potential: fpp(rmax) ; LINE(nt/coulomb_potential/derivs, 1400, 92) ; -2.00000001E-006; 1e-12

match ; H density: fp(r1)    ; LINE(nt/h_density/derivs, 1,    56) ; -7.99984000E+000; 3e-07
match ; H density: fp(r700)  ; LINE(nt/h_density/derivs, 700,  56) ; -7.51243218E+000; 1e-12
match ; H density: fp(rmax)  ; LINE(nt/h_density/derivs, 1400, 56) ; 1.23947066E-080; 1e-12
match ; H density: fpp(r1)   ; LINE(nt/h_density/derivs, 1,    92) ; 1.60781250E+001; 4e+00
match ; H density: fpp(r700) ; LINE(nt/h_density/derivs, 700,  92) ; 1.50248644E+001; 10e-08
match ; H density: fpp(rmax) ; LINE(nt/h_density/derivs, 1400, 92) ; 5.70635791E-080; 1e-12
