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gd-tdpes sometimes misses one output frame compared to gi quantities #22

@JanosJiri

Description

@JanosJiri

Playing with OH radical, the following settings provided issue when loading ef quantities triggered by gd-tdpes.dat lacking one frame compared to the other EF quantities.

Input triggering issue:

&general
    dynamics = 'rt'
    nstep = 586
    dt = 0.5
    dtwrite = 2.0
    xngrid = 1024
    xmin = 0.5
    xmax = 8.0
    mass_x = 1728.256714
    nstates = 3
    print_wf = .true.
    rank = 1
/

&init_wf
    weights = 0.661273011, 0.115320871, 0.223406118
    gen_init_wf = .false.
/

&rt
    analytic = .false.
    exact_factor = .true.
    ef_gauge = 'A0'
    ef_zero = 5d-6
/

Input NOT triggering:

The difference is only the nstep keyword

&general
    dynamics = 'rt'
    nstep = 588 
    dt = 0.5
    dtwrite = 2.0
    xngrid = 1024
    xmin = 0.5
    xmax = 8.0
    mass_x = 1728.256714
    nstates = 3
    print_wf = .true.
    rank = 1
/

&init_wf
    weights = 0.661273011, 0.115320871, 0.223406118
    gen_init_wf = .false.
/

&rt
    analytic = .false.
    exact_factor = .true.
    ef_gauge = 'A0'
    ef_zero = 5d-6
/

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