/************************************************************************************************************* The MIT License Copyright (C) 2006-2019 David Dubbeldam, Sofia Calero, Thijs Vlugt, Donald E. Ellis, and Randall Q. Snurr. D.Dubbeldam@uva.nl http://www.uva.nl/profiel/d/u/d.dubbeldam/d.dubbeldam.html scaldia@upo.es http://www.upo.es/raspa/ t.j.h.vlugt@tudelft.nl http://homepage.tudelft.nl/v9k6y don-ellis@northwestern.edu http://dvworld.northwestern.edu/ snurr@northwestern.edu http://zeolites.cqe.northwestern.edu/ Permission is hereby granted, free of charge, to any person obtaining a copy of this software and associated documentation files (the "Software"), to deal in the Software without restriction, including without limitation the rights to use, copy, modify, merge, publish, distribute, sublicense, and/or sell copies of the Software, and to permit persons to whom the Software is furnished to do so, subject to the following conditions: The above copyright notice and this permission notice shall be included in all copies or substantial portions of the Software. THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE SOFTWARE. **************************************************************************************************************/ #ifdef HAVE_CONFIG_H #include #endif #include #include #include #include "complex.h" REAL Re(Complex a) { return a.re; } REAL Im(Complex a) { return a.im; } // creates a Complex number from the real and imaginary part Complex MakeComplex(REAL re,REAL im) { Complex c; c.re=re; c.im=im; return c; } // returns the Complex addition of Complex a and Complex b Complex ComplexAdd(Complex a,Complex b) { Complex c; c.re=a.re+b.re; c.im=a.im+b.im; return c; } // returns the Complex subtraction of Complex a and Complex b Complex ComplexSubtraction(Complex a,Complex b) { Complex c; c.re=a.re-b.re; c.im=a.im-b.im; return c; } // returns the Complex multiplication of Complex a and Complex b Complex ComplexMultiplication(Complex a,Complex b) { Complex c; c.re=a.re*b.re-a.im*b.im; c.im=a.im*b.re+a.re*b.im; return c; } // returns the Complex division of Complex a and Complex b (without under/overflow) Complex ComplexDivision(Complex a,Complex b) { Complex c; REAL r,den; if (fabs(b.re)>=fabs(b.im)) { r=b.im/b.re; den=b.re+r*b.im; c.re=(a.re+r*a.im)/den; c.im=(a.im-r*a.re)/den; } else { r=b.re/b.im; den=b.im+r*b.re; c.re=(a.re*r+a.im)/den; c.im=(a.im*r-a.re)/den; } return c; } // returns the multiplication of real x with Complex a Complex ComplexRealMuliplication(REAL x,Complex a) { Complex c; c.re=x*a.re; c.im=x*a.im; return c; } // returns the conjugate of Complex z Complex Conjugate(Complex z) { Complex c; c.re=z.re; c.im=-z.im; return c; } // returns the absolute value of Complex z (without under/overflow) REAL ComplexAbs(Complex z) { REAL x,y,ans,temp; x=z.re>=0.0?z.re:-z.re; y=z.im>=0.0?z.im:-z.im; if(x==0.0) ans=y; else if(y==0.0) ans=x; else if(x>y) { temp=y/x; ans=x*sqrt(1.0+temp*temp); } else { temp=x/y; ans=y*sqrt(1.0+temp*temp); } return ans; } // returns the squareroot of Complex z (without under/overflow) Complex ComplexSqrt(Complex z) { Complex c; REAL x,y,w,r; if ((z.re==0.0)&&(z.im==0.0)) { c.re=0.0; c.im=0.0; return c; } else { x=z.re>=0.0?z.re:-z.re; y=z.im>=0.0?z.im:-z.im; if (x >= y) { r=y/x; w=sqrt(x)*sqrt(0.5*(1.0+sqrt(1.0+r*r))); } else { r=x/y; w=sqrt(y)*sqrt(0.5*(r+sqrt(1.0+r*r))); } if (z.re>=0.0) { c.re=w; c.im=z.im/(2.0*w); } else { c.im=(z.im>=0.0)?w:-w; c.re=z.im/(2.0*c.im); } return c; } } Complex ComplexLog(Complex a) { Complex c; c.re=log(sqrt(a.re*a.re+a.im*a.im)); c.im=atan2(a.im,a.re); return c; }