📄 dsmc0.h
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* PARAMETER (MNM=100000,MNCT=600,MNSCT=4800,MNSP=1,MNSG=1)**--MNM is the maximum number of molecules*--MNCT is the maximum number of sub*--MNSCT is the maximum number of sub-cells*--MNSP is the maximum number of molecular species*--MNSG is the number of species groups for collision sampling* PARAMETER(IDN=3,JDN=6,KDN=6)
*--IDN is the number of molecular layer restructured surface
*--JDN,KDN is the number of molecular in each layer
IMPLICIT DOUBLE PRECISION (A-H)
IMPLICIT DOUBLE PRECISION (O-Z)
DOUBLE PRECISION COL(MNSP,MNSP),MOVT,NCOL,SELT,SEPT,
& CS(7,MNCT,MNSP)**--COL(M,N) is the number of collisions between species N-M molecules*--NCOL is the total number of collisions*--MOVT the total number of molecular moves*--SELT the total number of pair selections*--SEPT the sum of collision pair separations*--CS(N,M,L) sampled information on species L in cell M*----N=1 number sum*----N=2,3,4 sum of u,v,w*----N=5,6,7 sum of u*u,v*v,w*w * COMMON /MOLS / NM,IPL(MNM),IPS(MNM),IR(MNM),MNC,MNSC COMMON /FMOLS / PP(3,MNM),PV(3,MNM)
**--NM is the number of molecules*--PP(1 to 3,M) is the x,y,z coordinate molecule M
*--PV(1 to 3,M) u,v,w velocity components of molecule M*--IPL(M) sub-cell number for molecule M*--IPS(M) species code number*--IR(M) cross-reference array (molecule numbers in order of sub-cells)* COMMON /MCELLS / IC(2,MNCT,MNSG),ISC(MNSCT),ISCG(2,MNSCT,MNSG),
& IG(2,MNSG)
COMMON /CELLS / CC(MNCT),CG(3,MNCT),CCG(2,MNCT,MNSG,MNSG)**--CC(M) is the cell volume*--CCG(N,M,L,K) is for collisions between species groups L-K in cell M*----N=1 is the maximum value of (relative speed)*(coll. cross-section)*----N=2 is the remainder when the selection number is rounded*--CG(N,M) is the geometry related information on cell M*----N=1 the minimum x coordinate*----N=2 the maximum x coordinate*----N=3 the cell width*--IC(N,M,L) information on the molecules of species group L in cell M*----N=1 (start address -1) of the molecule numbers in the array IR*----N=2 the number of molecules in the cell*--ISC(M) the cell in which the sub-cell lies*--ISCG(N,M,L) is the information on species group L in sub-cell M*----N=1 (start address -1) of the molecule numbers in the array IR*----N=2 the number of molecules in the sub-cell*--IG(2,M) information on group L molecules*----N=1 (start address -1) of the molecule numbers in the array IR*----N=2 the number of molecules in the cell* COMMON /GAS / SP(5,MNSP),SPM(6,MNSP,MNSP) COMMON /MGAS / ISP(MNSP)
**--SP(N,M) information on species M*----N=1 the reference cross-section (diameter in the data)*----N=2 the reference temperature*----N=3 the viscosity-temperature power law*----N=4 the reciprocal of the VSS scattering parameter*----N=5 the molecular mass*--SPM(N,M,L) information on the interaction between L-M molecules*----N=1 the reference cross-section (diameter in the data)*----N=2 the reference temperature*----N=3 the viscosity-temperature power law*----N=4 the reciprocal of the VSS scattering parameter*----N=5 the reduced mass*----N=6 the Gamma function of (5/2 - viscosity-temperature power law)*--ISP(M) the colision sampling group in which species M lies* COMMON /SAMP / COL,SELT,SEPT,CS,TIME,FND,FTMP,FSP(MNSP) COMMON /MSAMP / NCOL,MOVT,NPR,NSMP,ISPD
**--TIME time*--NPR the number of output/restart file update cycles*--NSMP the total number of samples*--FND the stream number density*--FTMP the stream temperature*--FSP(M) the fraction of species M in the stream*--ISPD relates to the setting of data for colls. between unlike mols.*----set to 0 if data is set automatically to the mean values*----set to 1 if the values are set explicitly in the data* COMMON /COMP / FNUM,DTM,DTMMD COMMON /MCOMP / NIS,NSP,NPS,NPT
**--FNUM is the number of real molecules represented by a simulated mol.*--DTM is the time step*--NIS is the number of time steps between samples*--NSP is the number of samples between restart and output file updates*--NPS is the estimated number of samples to steady flow*--NPT is the number of file updates to STOP* COMMON /GEOM / CW,XF,XR,VFY(2),VFZ(2) COMMON /MGEOM / NSC,IB(4),NSIGMD
**--CW is the cell width*--NSC is the number of sub-cells per cell*--XF is the minimum x coordinate*--XR is the maximum x coordinate*--VFY is added for coutte flow case* COMMON /CONST / PI,SPI,BOLTZ**--PI is pi and SPI is the square root of pi*--BOLTZ is the Boltzmann constant
*
COMMON /SURMD / SMDTIME(2),SMDDIS(2,3),SMCSS(9,2,MNSP)
*--SMDTIME(2) is the time of interaction between molecular and solid
*--SMDDIS(2) is the displacement of the molecular sollided with the solid
*--SMCSS(9,2,MNSP) is same as CSS
COMMON /MDSURF / NSURFCOLL(2),NVELMOD(2)
COMMON /SURMDCOE / SIGEMA,EPSELON,GAP,RW(3,IDN,JDN,KDN)
*--SIGEMA,EPSELON is the paremeters in L-J potential function
*--GAP is the distence between the two molecular in restructured surface
*--RW(3,I,J,K) is the position of molecular (I,J,K).
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