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replace tabs and remove trailing whitespace in lib folder with updated script

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This commit is contained in:
Axel Kohlmeyer
2021-08-22 20:45:24 -04:00
parent 30821b37e5
commit 92b5b159e5
311 changed files with 9176 additions and 9176 deletions
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12
lib/awpmd/ivutils/include/wavepacket.h
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@ -12,7 +12,7 @@
using namespace std;
/** @file wpmd.h
/** @file wpmd.h
@brief Classes to handle Gaussian Wave Packets. */
// Constants
@ -89,7 +89,7 @@ public:
WavePacket operator*(const WavePacket& other) const {
return WavePacket(a+other.a,b+other.b,lz+other.lz);
}
/// returns the integral of w(x) over 3D space
cdouble integral() const {
cdouble z = lz + b.norm2()/(4.*a);
@ -171,7 +171,7 @@ public:
///\en Transforms derivatives of a function with respect to WP parameters
/// from internal into physical representation, i. e.:\n
/// from df/d{are,aim,b0re,b0im,b1re,b1im,b2re,b2im} (8 values accessed by input iterator d_it in the given order)\n
/// to df/d{x0,x1,x2}, df/d{p0,p1,p2}, df/dw, df/dpw
/// to df/d{x0,x1,x2}, df/d{p0,p1,p2}, df/dw, df/dpw
/// The supplied inputs (val) are modified by op: val=op(val,phys_der).
/// Use operation=eq_second for the supplied inputs to be replaced by new physical derivative values.
/// The input and output locations may coinside, an internal buffer is used for transformation.
@ -189,7 +189,7 @@ public:
for(int i=0;i<3;i++){
dfn[i]= 2*real(a)*dfdi[2+2*i]+2*imag(a)*dfdi[2+2*i+1];
dfn[3+i]= dfdi[2+2*i+1]*(/*m_electron*/1./h_p) ; //*(h_plank/m_electron);
dfn[7]+=-(r[i]*dfdi[2+2*i+1]/w)/h_p;
dfn[7]+=-(r[i]*dfdi[2+2*i+1]/w)/h_p;
dfn[6]+=-2*r[i]*(t*dfdi[2+2*i]+imag(a)*dfdi[2+2*i+1]/w);
}
int i=0;
@ -201,7 +201,7 @@ public:
*dfdpw=op(*dfdpw,dfn[i++]);
}
///\en Compares the wave packet to another on a per component basis.
/// \return \retval 0 if all component differences are 0 within tolerance \a tol (EQUAL),
/// \retval -1 for LESS
@ -229,7 +229,7 @@ public:
for(int i=0;i<3;i++){
fe_x[ic1+k1][i]+= -2*real(wk.a)*E_der[s1][indw1+8*k1+2+2*i]-2*imag(wk.a)*E_der[s1][indw1+8*k1+2+2*i+1];
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_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