diff --git a/fortran/trimspNL.F b/fortran/trimspNL.F index 64b6ef9..09e2daa 100644 --- a/fortran/trimspNL.F +++ b/fortran/trimspNL.F @@ -181,6 +181,9 @@ C REAL Variables REAL*8 K2(MAXNL),CK(MAXNL),KLM1(MAXNL) REAL*8 SB(MAXNL),DLI(MAXNL) REAL*8 UpTiefe,LowTiefe +C ZT - atomin numbers, MT - mass numbers (amu), CO - concentration (stoichiometry) +C SBE - surface binding energy, ED - displacement energy, BE - bulk binding energy +C COM - ?? REAL*8 ZT(MAXNL,5),MT(MAXNL,5),CO(MAXNL,5) & ,SBE(MAXNL,5),ED(MAXNL,5),BE(MAXNL,5), & COM(5,MAXNL) @@ -189,6 +192,7 @@ C REAL Variables & ,KLM(MAXNL,MAXNL5) REAL*8 MU1(MAXNL5),EC1(MAXNL5),A1(MAXNL5),F1(MAXNL5),KL1(MAXNL5) & ,KOR1(MAXNL5) ,DI(MAXNL5),EP(MAXNL5),ZZ(MAXNL5),TM(MAXNL5) +C CH1,2,3,4,5 are values of A-1,2,3,4,5 of the Ziegler tables REAL*8 CH1(MAXNL,5),CH2(MAXNL,5),CH3(MAXNL,5) & ,CH4(MAXNL,5),CH5(MAXNL,5) REAL*8 CHM1(MAXNL) @@ -386,10 +390,9 @@ C LMAX as needed for the new format. JMAX=5 if (OldNew(innam).eq.1) then +C This part reads the input file (new format) OPEN(UNIT=99,file=errnam,STATUS='replace') OPEN(UNIT=11,file=innam,STATUS='unknown',ERR=1359) - -C This part reads the input file (new format) C First line: properties of projectile READ(11,*) Z1,M1,E0,Esig,ALPHA,ALPHASIG,EF,ESB,SHEATH,ERC C Second line: simulation related parameters @@ -429,10 +432,11 @@ C value A-5 of the ziegler tables READ(11,*) CH5(I,1),CH5(I,2),CH5(I,3),CH5(I,4),CH5(I,5) ENDDO else +C This part reads the input file (old format, 7 layers) +C To be phased out soon (aim for beginning of 2023). OPEN(UNIT=99,file=errnam,STATUS='replace') OPEN(UNIT=11,file=innam,STATUS='unknown',ERR=1359) -C This part reads the input file (old format, 7 layers) C First line: properties of projectile READ(11,*) Z1,M1,E0,Esig,ALPHA,ALPHASIG,EF,ESB,SHEATH,ERC C Second line: simulation related parameters