testing Module Reference

Contains unit tests for all major functions in the program. More...

Functions/Subroutines
integer function	test_qho_prob ()
	Tests the QHO_Prob function in the solvers module. More...
integer function	test_qho_energy ()
	Tests the QHO_Energy function in the solvers module. More...
integer function	test_h1s_wfn ()
	Tests the H1s_wfn function in the solvers module. More...
integer function	test_h2s_wfn ()
	Tests the H2s_wfn function in the solvers module. More...
integer function	test_h_2_plus_wfn ()
	Tests the H_2_plus_wfn function in the solvers module. More...
integer function	test_h_2_plus_prob ()
	Tests the H_2_plus_Prob function in the solvers module. More...
integer function	test_h_2_plus_energy ()
	Tests the H_2_plus_Energy function in the solvers module. More...
integer function	test_h_2_plus_update_c ()
	Tests the H_2_plus_update_c function in the solvers module. More...
integer function	test_h_2_cusp ()
	Tests the H_2_cusp function in the solvers module. More...
integer function	test_h_2_wfn ()
	Tests the H_2_wfn function in the solvers module. More...
integer function	test_h_2_prob ()
	Tests the H_2_Prob function in the solvers module. More...
integer function	test_h_2_energy ()
	Tests the H_2_Energy function in the solvers module. More...
integer function	test_h_2_update_beta ()
	Tests the H_2_update_beta function in the solvers module. More...
integer function	test_ran1 ()
	Tests the ran1 function in the vqmc module. More...
integer function	test_random_normal ()
	Tests the random_normal function in the vqmc module. More...
integer function	test_linspace ()
	Tests the linspace function in the vqmc module. More...
integer function	test_vqmc_qho ()
	Tests the VQMC_QHO function in the vqmc module. More...
integer function	test_vqmc_h_2_plus ()
	Tests the VQMC_H_2_plus function in the vqmc module. More...
integer function	test_vqmc_h_2 ()
	Tests the VQMC_H_2 function in the vqmc module. More...
subroutine	unit_tests ()
	Runs all of the unit tests, reporting successes and failures. More...

Variables
real(real64), parameter	tol = 1e-6_real64
	Error tolerance in floating point evaluations. More...

Detailed Description

Contains unit tests for all major functions in the program.

Module containing all test data needed for unit tests, ie. all pre-defined inputs/outputs to internal functions, as well as functions for running these tests and reporting any discrepancies.

Function/Subroutine Documentation

test_qho_prob()

integer function testing::test_qho_prob

Tests the QHO_Prob function in the solvers module.

Returns a value of 0 if the test is successful, returns a value of 1 if the result of the test falls outside tolerances.

Return values

ierr	Unit test error state

Definition at line 48 of file testing.f90.

 
        implicit none
 
        real(real64) :: alpha = 0.1_real64
        real(real64) :: x_current = 0.2_real64
        real(real64) :: x_next = 1.0_real64
        real(real64) :: res_expected = 0.8253068685_real64
 
        real(real64) :: res_actual
        integer :: ierr
 
        res_actual = qho_prob(alpha, x_current, x_next)
 
        if (abs(res_actual - res_expected) .ge. tol) then
            ierr = 1
            write(*, "('Expected result: ' F12.8, ', got result ', F12.8, ' instead.')") res_expected, res_actual
        else
            ierr = 0
        end if
 

Here is the call graph for this function:

Here is the caller graph for this function:

test_qho_energy()

integer function testing::test_qho_energy

Tests the QHO_Energy function in the solvers module.

Returns a value of 0 if the test is successful, returns a value of 1 if the result of the test falls outside tolerances.

Return values

ierr	Unit test error state

Definition at line 85 of file testing.f90.

 
        implicit none
 
        real(real64) :: alpha = 0.15_real64
        real(real64) :: x = 0.314_real64
        real(real64) :: res_expected = 0.19486118_real64
 
        real(real64) :: res_actual
        integer :: ierr
    
        res_actual = qho_energy(alpha, x)
 
        if (abs(res_actual - res_expected) .ge. tol) then
            ierr = 1
            write(*, "('Expected result: ' F12.8, ', got result ', F12.8, ' instead.')") res_expected, res_actual
        else
            ierr = 0
        end if
 

Here is the call graph for this function:

Here is the caller graph for this function:

test_h1s_wfn()

integer function testing::test_h1s_wfn

Tests the H1s_wfn function in the solvers module.

Returns a value of 0 if the test is successful, returns a value of 1 if the result of the test falls outside tolerances.

Return values

ierr	Unit test error state

Definition at line 120 of file testing.f90.

 
        implicit none
 
        real(real64), dimension(3) :: r_elec = (/1.5_real64, 0.2_real64, -0.5_real64/)
        real(real64), dimension(3) :: R_nuc = (/1.0_real64, 0.0_real64, 0.0_real64/)
        real(real64) :: res_expected = 0.2705734006_real64
 
        real(real64) :: res_actual
        integer :: ierr
    
        res_actual = h1s_wfn(r_elec, r_nuc)
 
        if (abs(res_actual - res_expected) .ge. tol) then
            ierr = 1
            write(*, "('Expected result: ' F12.8, ', got result ', F12.8, ' instead.')") res_expected, res_actual
        else
            ierr = 0
        end if
 

Here is the call graph for this function:

Here is the caller graph for this function:

test_h2s_wfn()

integer function testing::test_h2s_wfn

Tests the H2s_wfn function in the solvers module.

Returns a value of 0 if the test is successful, returns a value of 1 if the result of the test falls outside tolerances.

Return values

ierr	Unit test error state

Definition at line 155 of file testing.f90.

 
        implicit none
 
        real(real64), dimension(3) :: r_elec = (/1.5_real64, 0.2_real64, -0.5_real64/)
        real(real64), dimension(3) :: R_nuc = (/1.0_real64, 0.0_real64, 0.0_real64/)
        real(real64) :: res_expected = 0.08738223907_real64
 
        real(real64) :: res_actual
        integer :: ierr
    
        res_actual = h2s_wfn(r_elec, r_nuc)
 
        if (abs(res_actual - res_expected) .ge. tol) then
            ierr = 1
            write(*, "('Expected result: ' F12.8, ', got result ', F12.8, ' instead.')") res_expected, res_actual
        else
            ierr = 0
        end if
 

Here is the call graph for this function:

Here is the caller graph for this function:

test_h_2_plus_wfn()

integer function testing::test_h_2_plus_wfn

Tests the H_2_plus_wfn function in the solvers module.

Returns a value of 0 if the test is successful, returns a value of 1 if the result of the test falls outside tolerances.

Return values

ierr	Unit test error state

Definition at line 191 of file testing.f90.

 
        implicit none
 
        real(real64) :: c = 0.5_real64
        real(real64), dimension(3) :: r = (/1.5_real64, 0.2_real64, -0.5_real64/)
        real(real64), dimension(3) :: R_a = (/1.0_real64, 0.0_real64, 0.0_real64/)
        real(real64), dimension(3) :: R_b = (/-1.0_real64, 0.0_real64, 0.0_real64/)
        real(real64) :: res_expected = 0.1731585063_real64
 
        real(real64) :: res_actual
        integer :: ierr
    
        res_actual= h_2_plus_wfn(c, r, r_a, r_b)
 
        if (abs(res_actual - res_expected) .ge. tol) then
            ierr = 1
            write(*, "('Expected result: ' F12.8, ', got result ', F12.8, ' instead.')") res_expected, res_actual
        else
            ierr = 0
        end if
 

Here is the call graph for this function:

Here is the caller graph for this function:

test_h_2_plus_prob()

integer function testing::test_h_2_plus_prob

Tests the H_2_plus_Prob function in the solvers module.

Returns a value of 0 if the test is successful, returns a value of 1 if the result of the test falls outside tolerances.

Return values

ierr	Unit test error state

Definition at line 229 of file testing.f90.

 
        implicit none
 
        real(real64) :: c = 0.5_real64
        real(real64), dimension(3) :: r_current = (/1.5_real64, 0.2_real64, -0.5_real64/)
        real(real64), dimension(3) :: r_next = (/1.2_real64, -0.4_real64, -0.8_real64/)
        real(real64), dimension(3) :: R_a = (/1.0_real64, 0.0_real64, 0.0_real64/)
        real(real64), dimension(3) :: R_b = (/-1.0_real64, 0.0_real64, 0.0_real64/)
        real(real64) :: res_expected = 0.835383508_real64
 
        real(real64) :: res_actual
        integer :: ierr
    
        res_actual = h_2_plus_prob(c, r_current, r_next, r_a, r_b)
 
        if (abs(res_actual - res_expected) .ge. tol) then
            ierr = 1
            write(*, "('Expected result: ' F12.8, ', got result ', F12.8, ' instead.')") res_expected, res_actual
        else
            ierr = 0
        end if
 

Here is the call graph for this function:

Here is the caller graph for this function:

test_h_2_plus_energy()

integer function testing::test_h_2_plus_energy

Tests the H_2_plus_Energy function in the solvers module.

Returns a value of 0 if the test is successful, returns a value of 1 if the result of the test falls outside tolerances.

Return values

ierr	Unit test error state

Definition at line 268 of file testing.f90.

 
        implicit none
 
        real(real64) :: c = 0.5_real64
        real(real64), dimension(3) :: r = (/1.5_real64, 0.2_real64, -0.5_real64/)
        real(real64), dimension(3) :: R_a = (/1.0_real64, 0.0_real64, 0.0_real64/)
        real(real64), dimension(3) :: R_b = (/-1.0_real64, 0.0_real64, 0.0_real64/)
        real(real64) :: energy_expected = -0.60313643_real64
        real(real64) :: grad_expected = 0.24532551_real64
 
        real(real64) :: energy_actual, grad_actual
        integer :: ierr
    
        h2plus%auto_params = .true.
        call h_2_plus_energy(c, r, r_a, r_b, energy_actual, grad_actual)
 
        if (abs(energy_actual - energy_expected) .ge. tol) then
            ierr = 1
            write(*, "('Expected energy: ' F12.8, ', got energy ', F12.8, ' instead.')") energy_expected, energy_actual
        else if (abs(grad_actual - grad_expected) .ge. tol) then
            ierr = 1
            write(*, "('Expected gradient: ' F12.8, ', got gradient ', F12.8, ' instead.')") grad_expected, grad_actual
        else
            ierr = 0
        end if
 

Here is the call graph for this function:

Here is the caller graph for this function:

test_h_2_plus_update_c()

integer function testing::test_h_2_plus_update_c

Tests the H_2_plus_update_c function in the solvers module.

Returns a value of 0 if the test is successful, returns a value of 1 if the result of the test falls outside tolerances.

Return values

ierr	Unit test error state

Definition at line 311 of file testing.f90.

 
        implicit none
 
        real(real64) :: c_old = 0.5_real64
        real(real64) :: grad = 0.8_real64
        real(real64) :: res_expected = -0.3_real64
 
        real(real64) :: res_actual
        integer :: ierr
    
        call h_2_plus_update_c(c_old, grad, res_actual)
 
        if (abs(res_actual - res_expected) .ge. tol) then
            ierr = 1
            write(*, "('Expected result: ' F12.8, ', got result ', F12.8, ' instead.')") res_expected, res_actual
        else
            ierr = 0
        end if
 

Here is the call graph for this function:

Here is the caller graph for this function:

test_h_2_cusp()

integer function testing::test_h_2_cusp

Tests the H_2_cusp function in the solvers module.

Returns a value of 0 if the test is successful, returns a value of 1 if the result of the test falls outside tolerances.

Return values

ierr	Unit test error state

Definition at line 347 of file testing.f90.

 
        implicit none
 
        real(real64) :: s = 1.0_real64
        real(real64) :: res_expected = 0.78218836_real64
 
        real(real64) :: res_actual
        integer :: ierr
    
        res_actual = h_2_cusp(s)
 
        if (abs(res_actual - res_expected) .ge. tol) then
            ierr = 1
            write(*, "('Expected result: ' F12.8, ', got result ', F12.8, ' instead.')") res_expected, res_actual
        else
            ierr = 0
        end if
 

Here is the call graph for this function:

Here is the caller graph for this function:

test_h_2_wfn()

integer function testing::test_h_2_wfn

Tests the H_2_wfn function in the solvers module.

Returns a value of 0 if the test is successful, returns a value of 1 if the result of the test falls outside tolerances.

Return values

ierr	Unit test error state

Definition at line 382 of file testing.f90.

 
        implicit none
 
        real(real64) :: a = 1.0_real64
        real(real64) :: beta = 0.4_real64
        real(real64), dimension(3) :: r_1 = (/1.5_real64, 0.2_real64, -0.5_real64/)
        real(real64), dimension(3) :: r_2 = (/0.5_real64, -0.2_real64, 1.4_real64/)
        real(real64), dimension(3) :: R_a = (/1.0_real64, 0.0_real64, 0.0_real64/)
        real(real64), dimension(3) :: R_b = (/-1.0_real64, 0.0_real64, 0.0_real64/)
        real(real64) :: res_expected = 0.34961993_real64
 
        real(real64) :: res_actual
        integer :: ierr
    
        res_actual = h_2_wfn(a, beta, r_1, r_2, r_a, r_b)
 
        if (abs(res_actual - res_expected) .ge. tol) then
            ierr = 1
            write(*, "('Expected result: ' F12.8, ', got result ', F12.8, ' instead.')") res_expected, res_actual
        else
            ierr = 0
        end if
 

Here is the call graph for this function:

Here is the caller graph for this function:

test_h_2_prob()

integer function testing::test_h_2_prob

Tests the H_2_Prob function in the solvers module.

Returns a value of 0 if the test is successful, returns a value of 1 if the result of the test falls outside tolerances.

Return values

ierr	Unit test error state

Definition at line 422 of file testing.f90.

 
        implicit none
 
        real(real64) :: a = 0.1, beta = 0.4
        real(real64), dimension(3) :: r_1_current = (/1.5_real64, 0.2_real64, -0.5_real64/)
        real(real64), dimension(3) :: r_2_current = (/1.1_real64, -0.5_real64, 2.1_real64/)
        real(real64), dimension(3) :: r_1_next = (/1.2_real64, -0.4_real64, -0.8_real64/)
        real(real64), dimension(3) :: r_2_next = (/-0.2_real64, -1.3_real64, 1.0_real64/)
        real(real64), dimension(3) :: R_a = (/1.0_real64, 0.0_real64, 0.0_real64/)
        real(real64), dimension(3) :: R_b = (/-1.0_real64, 0.0_real64, 0.0_real64/)
        real(real64) :: res_expected = 26.08521296_real64
 
        real(real64) :: res_actual
        integer :: ierr
    
        res_actual = h_2_prob(a, beta, r_1_current, r_2_current, r_1_next, r_2_next, r_a, r_b)
 
        if (abs(res_actual - res_expected) .ge. tol) then
            ierr = 1
            write(*, "('Expected result: ' F12.8, ', got result ', F12.8, ' instead.')") res_expected, res_actual
        else
            ierr = 0
        end if
 

Here is the call graph for this function:

Here is the caller graph for this function:

test_h_2_energy()

integer function testing::test_h_2_energy

Tests the H_2_Energy function in the solvers module.

Returns a value of 0 if the test is successful, returns a value of 1 if the result of the test falls outside tolerances.

Return values

ierr	Unit test error state

Definition at line 463 of file testing.f90.

 
        implicit none
 
        real(real64) :: a = 0.1, beta = 0.4
        real(real64), dimension(3) :: r_1 = (/1.5_real64, 0.2_real64, -0.5_real64/)
        real(real64), dimension(3) :: r_2 = (/1.1_real64, -0.5_real64, 2.1_real64/)
        real(real64), dimension(3) :: R_a = (/1.0_real64, 0.0_real64, 0.0_real64/)
        real(real64), dimension(3) :: R_b = (/-1.0_real64, 0.0_real64, 0.0_real64/)
        real(real64) :: energy_expected = -81.43386904_real64
        real(real64) :: grad_expected = -0.84912693_real64
 
        real(real64) :: energy_actual
        real(real64) :: grad_actual
        integer :: ierr
    
        call h_2_energy(a, beta, r_1, r_2, r_a, r_b, energy_actual, grad_actual)
 
        if (abs(energy_actual - energy_expected) .ge. tol) then
            ierr = 1
            write(*, "('Expected energy: ' F12.8, ', got energy ', F12.8, ' instead.')") energy_expected, energy_actual
        else if (abs(grad_actual - grad_expected) .ge. tol) then
            ierr = 1
            write(*, "('Expected gradient: ' F12.8, ', got gradient ', F12.8, ' instead.')") grad_expected, grad_actual
        else
            ierr = 0
        end if
 

Here is the call graph for this function:

Here is the caller graph for this function:

test_h_2_update_beta()

integer function testing::test_h_2_update_beta

Tests the H_2_update_beta function in the solvers module.

Returns a value of 0 if the test is successful, returns a value of 1 if the result of the test falls outside tolerances.

Return values

ierr	Unit test error state

Definition at line 507 of file testing.f90.

 
        implicit none
 
        real(real64) :: beta_old = 0.5_real64
        real(real64) :: grad = 0.8_real64
        real(real64) :: res_expected = -0.3_real64
 
        real(real64) :: res_actual
        integer :: ierr
    
        call h_2_update_beta(beta_old, grad, res_actual)
 
        if (abs(res_actual - res_expected) .ge. tol) then
            ierr = 1
            write(*, "('Expected result: ' F12.8, ', got result ', F12.8, ' instead.')") res_expected, res_actual
        else
            ierr = 0
        end if
 

Here is the call graph for this function:

Here is the caller graph for this function:

test_ran1()

integer function testing::test_ran1

Tests the ran1 function in the vqmc module.

Returns a value of 0 if the test is successful, returns a value of 1 if the result of the test falls outside tolerances.
Fixes the random number generator to a set sequence so all tests in the VQMC module will be reproducible.

Return values

ierr	Unit test error state

Definition at line 548 of file testing.f90.

 
        implicit none
 
        integer(int64) :: seed_set = -1
        real(real64) :: res_expected = 0.41599935685098144_real64
 
        real(real64) :: res_actual
        integer :: ierr
 
        seed = seed_set
        call ran1(res_actual, seed)
        
        if (abs(res_actual - res_expected) .ge. tol) then
            ierr = 1
            write(*, "('Expected result: ' F12.8, ', got result ', F12.8, ' instead.')") res_expected, res_actual
        else
            ierr = 0
        end if
        

Here is the call graph for this function:

Here is the caller graph for this function:

test_random_normal()

integer function testing::test_random_normal

Tests the random_normal function in the vqmc module.

Returns a value of 0 if the test is successful, returns a value of 1 if the result of the test falls outside tolerances.
Run with the expectation that test_ran1 has been run first, which sets the seed of the random number generator to -1 for reproducibility.

Return values

ierr	Unit test error state

Definition at line 586 of file testing.f90.

 
        implicit none
 
        integer :: dim = 3
        real(real64), dimension(3) :: res_expected = (/1.10941582390076, &
                                                        -0.734250042177316, &
                                                        -0.282471493382388/)
 
        real(real64), dimension(3) :: res_actual
        integer :: ierr
    
        seed = -1
        call random_normal(dim, res_actual)
 
        if (norm2(res_actual - res_expected) .ge. tol) then
            ierr = 1
            write(*, "('Expected result: ' F12.8, ', got result ', F12.8, ' instead.')") res_expected, res_actual
        else
            ierr = 0
        end if
 

Here is the call graph for this function:

Here is the caller graph for this function:

test_linspace()

integer function testing::test_linspace

Tests the linspace function in the vqmc module.

Returns a value of 0 if the test is successful, returns a value of 1 if the result of the test falls outside tolerances.

Return values

ierr	Unit test error state

Definition at line 624 of file testing.f90.

 
        implicit none
 
        real(real64) :: start = 1.0_real64
        real(real64) :: end = 3.0_real64
        real(real64) :: num = 3.0_real64
        real(real64), dimension(3) :: res_expected = (/1.0_real64, &
                                                       2.0_real64, &
                                                       3.0_real64/)
 
        real(real64), dimension(:), allocatable :: res_actual
        integer :: ierr
    
        seed = -1
        res_actual = linspace(start, end, num)
 
        if (norm2(res_actual - res_expected) .ge. tol) then
            ierr = 1
            write(*, "('Expected result: ' F12.8, ', got result ', F12.8, ' instead.')") res_expected, res_actual
        else
            ierr = 0
        end if
 

Here is the call graph for this function:

Here is the caller graph for this function:

test_vqmc_qho()

integer function testing::test_vqmc_qho

Tests the VQMC_QHO function in the vqmc module.

Returns a value of 0 if the test is successful, returns a value of 1 if the result of the test falls outside tolerances.

Return values

ierr	Unit test error state

Definition at line 664 of file testing.f90.

 
        implicit none
 
        real(real64), dimension(:), allocatable :: energy_chain
        real(real64), dimension(:), allocatable :: pos_chain
        real(real64) :: accept_rate
        real(real64) :: energy_variance
        real(real64) :: res_expected = 0.510854650956392_real64
 
        real(real64) :: res_actual
        integer :: ierr
    
        seed = -1
        call vqmc_qho(0.5_real64, 100, 10, 2, &
                0.4_real64, pos_chain, accept_rate, energy_chain, res_actual, &
                energy_variance)
 
        if (abs(res_actual - res_expected) .ge. tol) then
            ierr = 1
            write(*, "('Expected result: ' F12.8, ', got result ', F12.8, ' instead.')") res_expected, res_actual
        else
            ierr = 0
        end if
 

Here is the caller graph for this function:

test_vqmc_h_2_plus()

integer function testing::test_vqmc_h_2_plus

Tests the VQMC_H_2_plus function in the vqmc module.

Returns a value of 0 if the test is successful, returns a value of 1 if the result of the test falls outside tolerances.

Return values

ierr	Unit test error state

Definition at line 705 of file testing.f90.

 
        implicit none
 
        real(real64), dimension(:), allocatable :: energy_chain
        real(real64), dimension(:,:), allocatable :: pos_chain
        real(real64), dimension(:), allocatable :: DphiDc_chain
        real(real64) :: accept_rate
        real(real64) :: energy_variance
        real(real64), dimension(3) :: R_a = (/1.0_real64, 0.0_real64, 0.0_real64/)
        real(real64), dimension(3) :: R_b = (/-1.0_real64, 0.0_real64, 0.0_real64/)
        real(real64) :: res_expected = -0.590080460643371_real64
 
        real(real64) :: res_actual
        integer :: ierr
    
        seed = -1
        call vqmc_h_2_plus(h2plus%sigma, 100, 10, 2, &
                    0.7_real64, r_a, r_b, pos_chain, accept_rate, energy_chain, res_actual, & 
                    energy_variance, dphidc_chain)
 
        if (abs(res_actual - res_expected) .ge. tol) then
            ierr = 1
            write(*, "('Expected result: ' F12.8, ', got result ', F12.8, ' instead.')") res_expected, res_actual
        else
            ierr = 0
        end if
 

Here is the caller graph for this function:

test_vqmc_h_2()

integer function testing::test_vqmc_h_2

Tests the VQMC_H_2 function in the vqmc module.

Returns a value of 0 if the test is successful, returns a value of 1 if the result of the test falls outside tolerances.

Return values

ierr	Unit test error state

Definition at line 749 of file testing.f90.

 
        implicit none
 
        real(real64), dimension(:), allocatable :: energy_chain
        real(real64), dimension(:,:), allocatable :: pos_chain_1, pos_chain_2
        real(real64), dimension(:), allocatable :: DphiDbeta_chain
        real(real64) :: accept_rate
        real(real64) :: energy_variance
        real(real64), dimension(3) :: R_a = (/1.0_real64, 0.0_real64, 0.0_real64/)
        real(real64), dimension(3) :: R_b = (/-1.0_real64, 0.0_real64, 0.0_real64/)
        real(real64) :: res_expected = -2.36644573374483_real64
 
        real(real64) :: res_actual
        integer :: ierr
    
        seed = -1
        call vqmc_h_2(h2plus%sigma, 100, 10, 2, 0.5_real64, 0.5_real64, &
                    r_a, r_b, pos_chain_1, pos_chain_2, accept_rate, energy_chain, res_actual, & 
                    energy_variance, dphidbeta_chain)
 
        if (abs(res_actual - res_expected) .ge. tol) then
            ierr = 1
            write(*, "('Expected result: ' F12.8, ', got result ', F12.8, ' instead.')") res_expected, res_actual
        else
            ierr = 0
        end if
 

Here is the caller graph for this function:

unit_tests()

subroutine testing::unit_tests

Runs all of the unit tests, reporting successes and failures.

Subroutine to work through all of the unit tests, reporting successes and alerting users in the case of failures.

Definition at line 793 of file testing.f90.

 
        implicit none
 
        integer :: ierr
        integer :: total_tests = 19
        integer :: fail_counter, test_counter
 
        write(0, "('')")
        write(0, "('--------------------------------------------------')")
        write(0, "('[PROGRAM NAME] Unit Testing Suite')")
        write(0, "('--------------------------------------------------')")
        write(0, "('*** ', I2, ' function tests implemented, starting... ***')") total_tests
        write(0, "('')")
 
        fail_counter = 0
        test_counter = 0
 
        test_counter = test_counter + 1
        write(0, "('[', I2, '/', I2, ']  test_ran1')") test_counter, total_tests
        ierr = test_ran1()
        if (ierr .eq. 0) then
            write(0, "('    Unit test successful.')")
        else
            write(0, "('    *** Unit test failed. ***')")
            fail_counter = fail_counter + 1
        end if
 
        test_counter = test_counter + 1
        write(0, "('[', I2, '/', I2, ']  test_QHO_Prob')") test_counter, total_tests
        ierr = test_random_normal()
        if (ierr .eq. 0) then
            write(0, "('    Unit test successful.')")
        else
            write(0, "('    *** Unit test failed. ***')")
            fail_counter = fail_counter + 1
        end if
 
        test_counter = test_counter + 1
        write(0, "('[', I2, '/', I2, ']  test_QHO_Prob')") test_counter, total_tests
        ierr = test_qho_prob()
        if (ierr .eq. 0) then
            write(0, "('    Unit test successful.')")
        else
            write(0, "('    *** Unit test failed. ***')")
            fail_counter = fail_counter + 1
        end if
 
        test_counter = test_counter + 1
        write(0, "('[', I2, '/', I2, ']  test_QHO_Energy')") test_counter, total_tests
        ierr = test_qho_energy()
        if (ierr .eq. 0) then
            write(0, "('    Unit test successful.')")
        else
            write(0, "('    *** Unit test failed. ***')")
            fail_counter = fail_counter + 1
        end if
        
        test_counter = test_counter + 1
        write(0, "('[', I2, '/', I2, ']  test_H1s_wfn')") test_counter, total_tests
        ierr = test_h1s_wfn()
        if (ierr .eq. 0) then
            write(0, "('    Unit test successful.')")
        else
            write(0, "('    *** Unit test failed. ***')")
            fail_counter = fail_counter + 1
        end if
 
        test_counter = test_counter + 1
        write(0, "('[', I2, '/', I2, ']  test_H2s_wfn')") test_counter, total_tests
        ierr = test_h2s_wfn()
        if (ierr .eq. 0) then
            write(0, "('    Unit test successful.')")
        else
            write(0, "('    *** Unit test failed. ***')")
            fail_counter = fail_counter + 1
        end if
 
        test_counter = test_counter + 1
        write(0, "('[', I2, '/', I2, ']  test_H_2_plus_wfn')") test_counter, total_tests
        ierr = test_h_2_plus_wfn()
        if (ierr .eq. 0) then
            write(0, "('    Unit test successful.')")
        else
            write(0, "('    *** Unit test failed. ***')")
            fail_counter = fail_counter + 1
        end if
 
        test_counter = test_counter + 1
        write(0, "('[', I2, '/', I2, ']  test_H_2_plus_Prob')") test_counter, total_tests
        ierr = test_h_2_plus_prob()
        if (ierr .eq. 0) then
            write(0, "('    Unit test successful.')")
        else
            write(0, "('    *** Unit test failed. ***')")
            fail_counter = fail_counter + 1
        end if
 
        test_counter = test_counter + 1
        write(0, "('[', I2, '/', I2, ']  test_H_2_plus_Energy')") test_counter, total_tests
        ierr = test_h_2_plus_energy()
        if (ierr .eq. 0) then
            write(0, "('    Unit test successful.')")
        else
            write(0, "('    *** Unit test failed. ***')")
            fail_counter = fail_counter + 1
        end if
 
        test_counter = test_counter + 1
        write(0, "('[', I2, '/', I2, ']  test_H_2_plus_update_c')") test_counter, total_tests
        ierr = test_h_2_plus_update_c()
        if (ierr .eq. 0) then
            write(0, "('    Unit test successful.')")
        else
            write(0, "('    *** Unit test failed. ***')")
            fail_counter = fail_counter + 1
        end if
 
        test_counter = test_counter + 1
        write(0, "('[', I2, '/', I2, ']  test_H_2_cusp')") test_counter, total_tests
        ierr = test_h_2_cusp()
        if (ierr .eq. 0) then
            write(0, "('    Unit test successful.')")
        else
            write(0, "('    *** Unit test failed. ***')")
            fail_counter = fail_counter + 1
        end if
 
        test_counter = test_counter + 1
        write(0, "('[', I2, '/', I2, ']  test_H_2_wfn')") test_counter, total_tests
        ierr = test_h_2_wfn()
        if (ierr .eq. 0) then
            write(0, "('    Unit test successful.')")
        else
            write(0, "('    *** Unit test failed. ***')")
            fail_counter = fail_counter + 1
        end if
 
        test_counter = test_counter + 1
        write(0, "('[', I2, '/', I2, ']  test_H_2_Prob')") test_counter, total_tests
        ierr = test_h_2_prob()
        if (ierr .eq. 0) then
            write(0, "('    Unit test successful.')")
        else
            write(0, "('    *** Unit test failed. ***')")
            fail_counter = fail_counter + 1
        end if
 
        test_counter = test_counter + 1
        write(0, "('[', I2, '/', I2, ']  test_H_2_Energy')") test_counter, total_tests
        ierr = test_h_2_energy()
        if (ierr .eq. 0) then
            write(0, "('    Unit test successful.')")
        else
            write(0, "('    *** Unit test failed. ***')")
            fail_counter = fail_counter + 1
        end if
 
        test_counter = test_counter + 1
        write(0, "('[', I2, '/', I2, ']  test_H_2_update_beta')") test_counter, total_tests
        ierr = test_h_2_update_beta()
        if (ierr .eq. 0) then
            write(0, "('    Unit test successful.')")
        else
            write(0, "('    *** Unit test failed. ***')")
            fail_counter = fail_counter + 1
        end if
 
        test_counter = test_counter + 1
        write(0, "('[', I2, '/', I2, ']  test_linspace')") test_counter, total_tests
        ierr = test_linspace()
        if (ierr .eq. 0) then
            write(0, "('    Unit test successful.')")
        else
            write(0, "('    *** Unit test failed. ***')")
            fail_counter = fail_counter + 1
        end if
 
        test_counter = test_counter + 1
        write(0, "('[', I2, '/', I2, ']  test_VQMC_QHO')") test_counter, total_tests
        ierr = test_vqmc_qho()
        if (ierr .eq. 0) then
            write(0, "('    Unit test successful.')")
        else
            write(0, "('    *** Unit test failed. ***')")
            fail_counter = fail_counter + 1
        end if
 
        test_counter = test_counter + 1
        write(0, "('[', I2, '/', I2, ']  test_VQMC_H_2_plus')") test_counter, total_tests
        ierr = test_vqmc_h_2_plus()
        if (ierr .eq. 0) then
            write(0, "('    Unit test successful.')")
        else
            write(0, "('    *** Unit test failed. ***')")
            fail_counter = fail_counter + 1
        end if
 
        test_counter = test_counter + 1
        write(0, "('[', I2, '/', I2, ']  test_VQMC_H_2')") test_counter, total_tests
        ierr = test_vqmc_h_2()
        if (ierr .eq. 0) then
            write(0, "('    Unit test successful.')")
        else
            write(0, "('    *** Unit test failed. ***')")
            fail_counter = fail_counter + 1
        end if
 
        write(0, "('')")
        write(0, "('--------------------------------------------------')")
        write(0, "('Unit testing results:')")
        if (fail_counter .eq. 0) then
            write(0, "(I2, '/', I2, ' unit tests passed!')") test_counter, total_tests
        else
            write(0, "(I2, '/', I2, ' unit tests failed!')") fail_counter, total_tests
        end if
        write(0, "('--------------------------------------------------')")
 
        write(0, "('')")
        write(0, "('Unit testing complete, exiting program...')")
 

Here is the call graph for this function:

Here is the caller graph for this function:

Variable Documentation

tol

real(real64), parameter testing::tol = 1e-6_real64

Error tolerance in floating point evaluations.

Definition at line 25 of file testing.f90.

    real(real64), parameter :: tol = 1e-6_real64