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Merged
TomGoffrey merged 3 commits into from
Jan 27, 2026
Merged

Tom/collision ionisation errors #883

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41289e7
Only print errors on rank 0
TomGoffrey Jan 27, 2026
54e79ad
Fix ionisation example decks
TomGoffrey Jan 27, 2026
947eb94
Line lengths
TomGoffrey Jan 27, 2026
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13 changes: 5 additions & 8 deletions epoch1d/example_decks/ionisation.deck
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Original file line number Diff line number Diff line change
Expand Up @@ -24,6 +24,7 @@ end:control
#
# use_collisions = T # Collisions must be on for collisional ionisation
# collisional_ionisation = T # Switches on collisional ionisation
# use_nanbu = T
#
# end:collisions

Expand All @@ -34,6 +35,7 @@ begin:constant
den_max = 10.0 * critical(omega)
den_preplasma = 1.0e18
len_scale = 5.0 * micron
ion_charge_state = 22 # Initial ionisation level of ions
end:constant


Expand All @@ -47,13 +49,15 @@ begin:species
name = Electron
charge = -1.0
mass = 1.0
number_density = den_max * ion_charge_state
nparticles = nx * 5
identify:electron
end:species


begin:species
name = Palladium
charge = 22.0
charge = ion_charge_state
atomic_no = 46
mass = 1836.2 * 105.0

Expand All @@ -67,13 +71,6 @@ begin:species
end:species


begin:species
name = Electron
number_density = number_density(Palladium) * 22.0
temperature = 1e6
end:species


begin:output

# Simulated time between output dumps
Expand Down
73 changes: 41 additions & 32 deletions epoch1d/src/deck/deck_species_block.F90
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Original file line number Diff line number Diff line change
Expand Up @@ -1226,57 +1226,66 @@ SUBROUTINE read_ionisation_data(atomic_no, ion_state, ionise_num, &
LOGICAL :: exists

IF (atomic_no < 1 .OR. atomic_no > 100) THEN
DO iu = 1, nio_units ! Print to stdout and to file
io = io_units(iu)
WRITE(io,*) ''
WRITE(io,*) '*** ERROR ***'
WRITE(io,*) 'Ionising species must have an atomic number between'
WRITE(io,*) '1 and 100'
WRITE(io,*) ''
END DO
IF (rank == 0) THEN
DO iu = 1, nio_units ! Print to stdout and to file
io = io_units(iu)
WRITE(io,*) ''
WRITE(io,*) '*** ERROR ***'
WRITE(io,*) 'Ionising species must have an atomic number between'
WRITE(io,*) '1 and 100'
WRITE(io,*) ''
END DO
END IF
CALL abort_code(c_err_bad_value)
END IF

! Check if the tables can be seen, issue warning if not
INQUIRE(FILE=TRIM(physics_table_location) // '/ionisation_energies.table', &
EXIST=exists)
IF (.NOT.exists) THEN
DO iu = 1, nio_units ! Print to stdout and to file
io = io_units(iu)
WRITE(io,*) ''
WRITE(io,*) '*** ERROR ***'
WRITE(io,*) 'Unable to find the file:'
WRITE(io,*) TRIM(physics_table_location) // '/ionisation_energies.table'
WRITE(io,*) ''
END DO
IF (rank == 0) THEN
DO iu = 1, nio_units ! Print to stdout and to file
io = io_units(iu)
WRITE(io,*) ''
WRITE(io,*) '*** ERROR ***'
WRITE(io,*) 'Unable to find the file:'
WRITE(io,*) TRIM(physics_table_location) &
// '/ionisation_energies.table'
WRITE(io,*) ''
END DO
END IF
CALL abort_code(c_err_io_error)
END IF

INQUIRE(FILE=TRIM(physics_table_location) // '/ion_l.table', &
EXIST=exists)
IF (.NOT.exists) THEN
DO iu = 1, nio_units ! Print to stdout and to file
io = io_units(iu)
WRITE(io,*) ''
WRITE(io,*) '*** ERROR ***'
WRITE(io,*) 'Unable to find the file:'
WRITE(io,*) TRIM(physics_table_location) // '/ion_l.table'
WRITE(io,*) ''
END DO
IF (rank == 0) THEN
DO iu = 1, nio_units ! Print to stdout and to file
io = io_units(iu)
WRITE(io,*) ''
WRITE(io,*) '*** ERROR ***'
WRITE(io,*) 'Unable to find the file:'
WRITE(io,*) TRIM(physics_table_location) // '/ion_l.table'
WRITE(io,*) ''
END DO
END IF
CALL abort_code(c_err_io_error)
END IF

INQUIRE(FILE=TRIM(physics_table_location) // '/ion_n.table', &
EXIST=exists)
IF (.NOT.exists) THEN
DO iu = 1, nio_units ! Print to stdout and to file
io = io_units(iu)
WRITE(io,*) ''
WRITE(io,*) '*** ERROR ***'
WRITE(io,*) 'Unable to find the file:'
WRITE(io,*) TRIM(physics_table_location) // '/ion_n.table'
WRITE(io,*) ''
END DO
IF (rank == 0) THEN
DO iu = 1, nio_units ! Print to stdout and to file
io = io_units(iu)
WRITE(io,*) ''
WRITE(io,*) '*** ERROR ***'
WRITE(io,*) 'Unable to find the file:'
WRITE(io,*) TRIM(physics_table_location) // '/ion_n.table'
WRITE(io,*) ''
END DO
END IF
CALL abort_code(c_err_io_error)
END IF

Expand Down
20 changes: 11 additions & 9 deletions epoch1d/src/physics_packages/collision_ionise.F90
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -636,15 +636,17 @@ SUBROUTINE get_electron_data_from_file(atomic_no, ion_state, binding_energy, &
INQUIRE(FILE=TRIM(physics_table_location) &
//'/binding_energy/be_'//z_string, EXIST=exists)
IF (.NOT.exists) THEN
DO iu = 1, nio_units ! Print to stdout and to file
io = io_units(iu)
WRITE(io,*) ''
WRITE(io,*) '*** ERROR ***'
WRITE(io,*) 'Unable to find the file:'
WRITE(io,*) TRIM(physics_table_location) &
//'/binding_energy/be_'//z_string
WRITE(io,*) ''
END DO
IF (rank == 0) THEN
DO iu = 1, nio_units ! Print to stdout and to file
io = io_units(iu)
WRITE(io,*) ''
WRITE(io,*) '*** ERROR ***'
WRITE(io,*) 'Unable to find the file:'
WRITE(io,*) TRIM(physics_table_location) &
//'/binding_energy/be_'//z_string
WRITE(io,*) ''
END DO
END IF
CALL abort_code(c_err_io_error)
END IF

Expand Down
11 changes: 4 additions & 7 deletions epoch2d/example_decks/ionisation.deck
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Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -27,6 +27,7 @@ end:control
#
# use_collisions = T # Collisions must be on for collisional ionisation
# collisional_ionisation = T # Switches on collisional ionisation
# use_nanbu = T
#
# end:collisions

Expand All @@ -37,6 +38,7 @@ begin:constant
den_max = 10.0 * critical(omega)
den_preplasma = 1.0e18
len_scale = 5.0 * micron
ion_charge_state = 22 # Initial ionisation level of ions
end:constant


Expand All @@ -52,7 +54,9 @@ begin:species
name = Electron
charge = -1.0
mass = 1.0
number_density = den_max * ion_charge_state
nparticles = nx * ny * 5
identify:electron
end:species


Expand All @@ -72,13 +76,6 @@ begin:species
end:species


begin:species
name = Electron
number_density = number_density(Palladium) * 22.0
temperature = 1e6
end:species


begin:output

# Simulated time between output dumps
Expand Down
73 changes: 41 additions & 32 deletions epoch2d/src/deck/deck_species_block.F90
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -1232,57 +1232,66 @@ SUBROUTINE read_ionisation_data(atomic_no, ion_state, ionise_num, &
LOGICAL :: exists

IF (atomic_no < 1 .OR. atomic_no > 100) THEN
DO iu = 1, nio_units ! Print to stdout and to file
io = io_units(iu)
WRITE(io,*) ''
WRITE(io,*) '*** ERROR ***'
WRITE(io,*) 'Ionising species must have an atomic number between'
WRITE(io,*) '1 and 100'
WRITE(io,*) ''
END DO
IF (rank == 0) THEN
DO iu = 1, nio_units ! Print to stdout and to file
io = io_units(iu)
WRITE(io,*) ''
WRITE(io,*) '*** ERROR ***'
WRITE(io,*) 'Ionising species must have an atomic number between'
WRITE(io,*) '1 and 100'
WRITE(io,*) ''
END DO
END IF
CALL abort_code(c_err_bad_value)
END IF

! Check if the tables can be seen, issue warning if not
INQUIRE(FILE=TRIM(physics_table_location) // '/ionisation_energies.table', &
EXIST=exists)
IF (.NOT.exists) THEN
DO iu = 1, nio_units ! Print to stdout and to file
io = io_units(iu)
WRITE(io,*) ''
WRITE(io,*) '*** ERROR ***'
WRITE(io,*) 'Unable to find the file:'
WRITE(io,*) TRIM(physics_table_location) // '/ionisation_energies.table'
WRITE(io,*) ''
END DO
IF (rank == 0) THEN
DO iu = 1, nio_units ! Print to stdout and to file
io = io_units(iu)
WRITE(io,*) ''
WRITE(io,*) '*** ERROR ***'
WRITE(io,*) 'Unable to find the file:'
WRITE(io,*) TRIM(physics_table_location) &
// '/ionisation_energies.table'
WRITE(io,*) ''
END DO
END IF
CALL abort_code(c_err_io_error)
END IF

INQUIRE(FILE=TRIM(physics_table_location) // '/ion_l.table', &
EXIST=exists)
IF (.NOT.exists) THEN
DO iu = 1, nio_units ! Print to stdout and to file
io = io_units(iu)
WRITE(io,*) ''
WRITE(io,*) '*** ERROR ***'
WRITE(io,*) 'Unable to find the file:'
WRITE(io,*) TRIM(physics_table_location) // '/ion_l.table'
WRITE(io,*) ''
END DO
IF (rank == 0) THEN
DO iu = 1, nio_units ! Print to stdout and to file
io = io_units(iu)
WRITE(io,*) ''
WRITE(io,*) '*** ERROR ***'
WRITE(io,*) 'Unable to find the file:'
WRITE(io,*) TRIM(physics_table_location) // '/ion_l.table'
WRITE(io,*) ''
END DO
END IF
CALL abort_code(c_err_io_error)
END IF

INQUIRE(FILE=TRIM(physics_table_location) // '/ion_n.table', &
EXIST=exists)
IF (.NOT.exists) THEN
DO iu = 1, nio_units ! Print to stdout and to file
io = io_units(iu)
WRITE(io,*) ''
WRITE(io,*) '*** ERROR ***'
WRITE(io,*) 'Unable to find the file:'
WRITE(io,*) TRIM(physics_table_location) // '/ion_n.table'
WRITE(io,*) ''
END DO
IF (rank == 0) THEN
DO iu = 1, nio_units ! Print to stdout and to file
io = io_units(iu)
WRITE(io,*) ''
WRITE(io,*) '*** ERROR ***'
WRITE(io,*) 'Unable to find the file:'
WRITE(io,*) TRIM(physics_table_location) // '/ion_n.table'
WRITE(io,*) ''
END DO
END IF
CALL abort_code(c_err_io_error)
END IF

Expand Down
20 changes: 11 additions & 9 deletions epoch2d/src/physics_packages/collision_ionise.F90
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -636,15 +636,17 @@ SUBROUTINE get_electron_data_from_file(atomic_no, ion_state, binding_energy, &
INQUIRE(FILE=TRIM(physics_table_location) &
//'/binding_energy/be_'//z_string, EXIST=exists)
IF (.NOT.exists) THEN
DO iu = 1, nio_units ! Print to stdout and to file
io = io_units(iu)
WRITE(io,*) ''
WRITE(io,*) '*** ERROR ***'
WRITE(io,*) 'Unable to find the file:'
WRITE(io,*) TRIM(physics_table_location) &
//'/binding_energy/be_'//z_string
WRITE(io,*) ''
END DO
IF (rank == 0) THEN
DO iu = 1, nio_units ! Print to stdout and to file
io = io_units(iu)
WRITE(io,*) ''
WRITE(io,*) '*** ERROR ***'
WRITE(io,*) 'Unable to find the file:'
WRITE(io,*) TRIM(physics_table_location) &
//'/binding_energy/be_'//z_string
WRITE(io,*) ''
END DO
END IF
CALL abort_code(c_err_io_error)
END IF

Expand Down
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