Add a variable dictionary

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2026-06-18 09:36:07 +02:00
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@@ -388,35 +388,123 @@ C part. refl. coeff. from Thomas et al.
DATA number_in_layer/MAXNL*0/
C=======================================================================
C Variable dictionary (comment-only, fixed-form Fortran)
C
C Indices and counters
C
C I layer index unless used as a local loop counter
C J element index inside layer I
C K global element/species index over all layers
C IV active primary-projectile slot, 1..64
C IREC recoil-particle slot, 1..2000
C IP/IPB/IPT depth-bin indices for general/back/transmission use
C IE,IA,IG energy, polar-angle and azimuth-angle histogram indices
C
C Main dimensions
C
C MAXD number of depth bins
C MAXNL maximum number of target layers
C MAXEL maximum number of elements in one layer
C MAXNL5 maximum total layer-specific species, MAXNL*MAXEL
C
C Main run controls
C
C NH number of projectiles
C NH number of incident projectiles to simulate
C E0 initial projectile energy
C Esig initial energy spread
C ESIG initial energy spread
C ALPHA incident angle
C X0 initial depth/start position
C CW depth-bin width
C L number of target layers
C
C L number of target layers used in this run
C
C Projectile
C
C
C Z1 projectile atomic number
C M1 projectile mass
C
C Target layers
C
C E(IV) current projectile energy
C X,Y,Z current projectile position components
C PL(IV) current projectile path length
C COSX,COSY,COSZ current projectile direction cosines
C
C Recoils
C
C ER recoil energy
C XR,YR,ZR recoil position components
C CSXR,CSYR,CSZR recoil direction cosines
C JJR recoil species index information
C LRR recoil layer index information
C INOUT recoil status / surface-crossing bookkeeping
C
C Target geometry and composition
C
C CHEM(I) layer name or chemical formula read from input
C DX(I) thickness of layer I
C RHO(I) density of layer I
C RHO(I) mass density of layer I
C NJ(I) number of elements in layer I
C JT(I) cumulative species index up to layer I
C ZT(I,J) atomic number of element J in layer I
C MT(I,J) mass of element J in layer I
C CO(I,J) concentration fraction of element J in layer I
C
C Binding / displacement energies
C
C Z2,M2 concentration-weighted layer atomic number and mass
C
C Binding, displacement and stopping input
C
C SBE(I,J) surface binding energy
C ED(I,J) displacement energy
C BE(I,J) bulk binding energy
C CH1-CH5 Ziegler stopping coefficients for each element
C CHM1(I) layer-level stopping coefficient helper
C
C Layer-specific species tables
C
C ZZ(K) atomic number for global species K
C TM(K) mass for global species K
C DI(K) density/concentration helper for species K
C EP(K) energy parameter for species K
C MU,EC,A,F,KL,KOR pair tables for projectile/target species
C MU1,EC1,A1,F1,KL1,KOR1 pair tables for incident projectile
C
C Energy loss and damage profiles
C
C ENUCL,EINEL projectile nuclear and electronic losses
C ENUCL2,EINEL2 squared-loss accumulators
C CASMOT,DENT,ION,PHON,DMGN depth-resolved projectile damage
C CASMOTR,DENTR,IONR,PHONR,DMGNR recoil-resolved damage
C ELE,ELI,ELP,ELD projectile energy-loss profiles by species
C ELER,ELIR,ELPR,ELDR recoil energy-loss profiles by species
C
C Range, reflection and transmission statistics
C
C IRP,RIRP implanted-projectile range histograms
C IPL,IPLB,IPLT path-length histograms
C IB,IT numbers of backscattered and transmitted projectiles
C ET sum of transmitted projectile energies
C EB sum of backscattered projectile energies
C
C Sputtering and recoil statistics
C
C IBSP,ITSP sputtered species counters, backward/transmission
C EBSP,ETSP sputtered species energy sums
C SPY,SPYT sputter yields per species
C REY,REYT recoil emission yields per species
C KADS/KADST sputtered angular counters
C KDSTJ/KDSTL transmitted sputtering angular counters
C
C Histogram arrays used in output
C
C MEAB,MEAT energy spectra for backscattered/transmitted ions
C MAGB,MAGT angular spectra for backscattered/transmitted ions
C MEAS,MEAST energy spectra for sputtered species
C MAGS,MAGST angular spectra for sputtered species
C EMA,EMAT accumulated energies in angular-energy bins
C
C File names and extensions
C
C FILEIN run basename supplied on the command line
C INNAM input file name, FILEIN//'.inp'
C OUTNAM main output file name, FILEIN//'.out'
C RGENAM range output file name, FILEIN//'.rge'
C ERRNAM error/log file name, FILEIN//'.err'
C=======================================================================
CALL getarg(1, filein)