From owner-chemistry@ccl.net Fri Sep 1 05:33:00 2006 From: "jle jle a TheWorld.com" To: CCL Subject: CCL: C function call question Message-Id: <-32464-060831222040-2487-K21/f3bkUbnY5ROGIgslKA[*]server.ccl.net> X-Original-From: jle Content-Transfer-Encoding: 7bit Content-Type: text/plain; charset=US-ASCII; delsp=yes; format=flowed Date: Thu, 31 Aug 2006 22:01:22 -0400 Mime-Version: 1.0 (Apple Message framework v752.2) Sent to CCL by: jle [jle..TheWorld.com] Folks, if you don't want to see a computer-heavy question, delete now... I'm looking for a way in C for a function to learn the name of the function that called it. There's a return address in the stack, and debuggers can do this via their magic - it would be useful if I could get the string name of the parent routine for logging purposes. I assume many reading this list either are or know people who do these tricks. Pointers are appreciated! Joe Leonard jle:theworld.com P.S. To start the changing email address process - for those who know me, please use jleonard42:gmail.com in place of this account. After 15 years, it's time to change :-(. From owner-chemistry@ccl.net Fri Sep 1 11:20:01 2006 From: "Uwe Huniar uwe.huniar|a|cosmologic.de" To: CCL Subject: CCL: Varying amount of HF exchange with Turbomole Message-Id: <-32465-060901111723-29033-3m8AiSjCiSy584UCtvCixg*|*server.ccl.net> X-Original-From: Uwe Huniar Content-Transfer-Encoding: 7bit Content-Type: text/plain; charset=ISO-8859-15 Date: Fri, 01 Sep 2006 17:17:34 +0200 MIME-Version: 1.0 Sent to CCL by: Uwe Huniar [uwe.huniar#%#cosmologic.de] Hello, here is what R. Ahlrichs wrote about this issue: -------------------------------------------------------------- TURBOMOLE does not permit to change the weight of HF exchange. The reason for this has been that not so experienced users would easily produce spurious results: by playing with the weight one get any result one likes, and often without any justification. But we will consider to change that in one of the next releases. -------------------------------------------------------------- Regards, Uwe >> But can any one tell me, whether these things are possible with turbomole, >> since we have access to that program. > > no, you can not set the amount of HF exchange or any other parameter of the > functionals in the input of Turbomole. -- ------------------------------------------------------------------------------ Dr. Uwe Huniar COSMOlogic GmbH&Co.KG Burscheider Str. 515 D-51381 Leverkusen Germany Tel. +49 - 2171 - 36 36 65 Fax +49 - 2171 - 73 16 89 EMail: uwe.huniar%a%cosmologic.de turbomole%a%cosmologic.de info%a%turbomole.com