源码文件
subroutine RealMolecule( Nc, Xc, Yc, Zc, TYPEc, DAMPc, & Np, Xp, Yp, Zp, TYPEp, DAMPp, & Nham, Niongrs, CHARGE, Bo…
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源码文件
subroutine Surf_Move( Ns, DX, DY, DZ, TYPEs, DAMPs, & Nham, Niongrs, CHARGE, BoxSize, & SUMQX, SUMQY, SUMQZ, SU…
源码文件
Subroutine ReGrow( Nlj, Nion, MaxMol, MaxSp, Nmol, & Xlj, Ylj, Zlj, TYPElj, DAMPlj2, DAMPlj3, & Xion, Yion, Zion, …
源码文件
subroutine ResUpdate( reslen, Xb, Yb, Zb, & nresmv, maxresmv, maxresp, & PROB_MV, RESMOVE, RESPARAM, & nvi…
源码文件
subroutine SelfMolecule( Nc, Xc, Yc, Zc, TYPEc, DAMPc, & Nham, Niongrs, CHARGE, & BoxSize, Alpha, ENERGY) impli…
源码文件
subroutine WriteData( InputConf, Nham, Nljgrs, Niongrs, & Nsp, MaxSp, MaxSteps, MaxBeads, MaxInt, MaxReal, & BETA,…
源码文件
subroutine WriteHist( MaxMol, MaxSp, Ubins, Nham, BETA, ZETA, Uwidth, Umin, & UN_HIST, N_HIST, BoxSize, UN_HistFile, N_His…
源码文件
subroutine Fourier_Move( Ns, Xn, Yn, Zn, TYPEs, DAMPs, & Nham, Niongrs, CHARGE, BoxSize, & Kmax, Nkvec, KX, KY, K…
源码文件
subroutine ResSetup( reslen, Xb, Yb, Zb, & Nresmol, MaxBeads, & Nmoves, Nham, & Xresmols, Yresmols, & …
源码文件
Subroutine Add( Nlj, Nion, MaxMol, MaxSp, MaxBeads, MaxEE, Nmol, & Xlj, Ylj, Zlj, TYPElj, DAMPlj2, DAMPlj3, & Xion, Yion…