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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10165 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2013-06-28 19:30:58 +00:00
parent f1fec72c71
commit bfbe995a9c
36 changed files with 1499 additions and 12 deletions
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8
lib/awpmd/ivutils/include/wavepacket.h
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@ -220,7 +220,8 @@ public:
};
/*double w=wk.get_width();
#if 0
double w=wk.get_width();
Vector_3 r=wk.get_r();
double t=3/(2*w*w*w);
fe_w[ic1+k1]+= t*E_der[s1][indw1+8*k1]+imag(wk.a)*E_der[s1][indw1+8*k1+1]/w;
@ -230,7 +231,8 @@ public:
fe_p[ic1+k1][i]+= (-E_der[s1][indw1+8*k1+2+2*i+1])*(m_electron/h_plank); //*(h_plank/m_electron);
fe_pw[ic1+k1]+=(r[i]*E_der[s1][indw1+8*k1+2+2*i+1]/w)/h_plank;
fe_w[ic1+k1]+=2*r[i]*(t*E_der[s1][indw1+8*k1+2+2*i]+imag(wk.a)*E_der[s1][indw1+8*k1+2+2*i+1]/w);
}*/
}
#endif
/// constructs a conjugate packet
@ -239,4 +241,4 @@ inline WavePacket conj(const WavePacket &wp){
}
# endif // WAVEPACKET_H
# endif // WAVEPACKET_H