From owner-chemistry@ccl.net Mon Nov 23 06:31:01 2015 From: "Rakesh Srivastava allahabad.21#%#gmail.com" To: CCL Subject: CCL: Looking for a numerical integration routine (preferably in Fortran) Message-Id: <-51898-151123062535-29821-rVXS/CMhu+mEWmFn4fN7qA|server.ccl.net> X-Original-From: Rakesh Srivastava Content-Type: multipart/alternative; boundary=001a113ce99a931d0f0525337b10 Date: Mon, 23 Nov 2015 16:55:30 +0530 MIME-Version: 1.0 Sent to CCL by: Rakesh Srivastava [allahabad.21|a|gmail.com] --001a113ce99a931d0f0525337b10 Content-Type: text/plain; charset=UTF-8 Dear All, I am looking for a numerical integration routine (preferably in Fortran) to integrate a function, which is only numerically defined. The numerical values are equally spaced. I tried the trapezoid rule based numerical recipe code. However, my (numerically defined) function has singularity (it is like exp(-x)/x)) and the numerical recipe routine although works, generally speaking, is not working for my case. I would greatly appreciate if you suggest any routine which can do this kind of integration. thanks, Rakesh Srivastava School of Computational & Integrative Sciences (SCIS) Jawaharlal Nehru University (JNU), New Delhi-110067 --001a113ce99a931d0f0525337b10 Content-Type: text/html; charset=UTF-8 Content-Transfer-Encoding: quoted-printable
Dear All,

=C2=A0I am looking for a = numerical=20 integration routine (preferably in Fortran) to integrate a function,=20 which is only numerically defined. The numerical values are equally=20 spaced. I tried the trapezoid rule based numerical recipe code. However, my (numerically defined) function has singularity (it is like=20 exp(-x)/x)) and the numerical recipe routine although works, generally=20 speaking, is not working for my case.

I would greatly ap= preciate if you suggest any routine which can do this kind of integration.<= br>
thanks,

Rakesh = Srivastava
School of Computational &= ; Integrative Sciences (SCIS)
Ja= waharlal Nehru University (JNU), New Delhi-110067
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