From owner-chemistry@ccl.net Tue May 30 16:13:00 2017 From: "Marcel Swart marcel.swart]^[icrea.cat" To: CCL Subject: CCL: DFT17poll almost about to start Message-Id: <-52816-170530161143-12292-WFClny3615vpaWI5NX71kg . server.ccl.net> X-Original-From: "Marcel Swart" Date: Tue, 30 May 2017 16:11:41 -0400 Sent to CCL by: "Marcel Swart" [marcel.swart:_:icrea.cat] Like every year, starting on June 1 there will be the DFTpoll: http://marcelswart.eu/dft-poll/ Contemplated in every year's poll is the possibility to propose new density functionals to be included in this year's poll. If you have candidates (next to MN15 which is already included), please send the names (and references to papers) to marcel.swart__udg.edu. Also, if you know of recent reviews / perspectives on DFT, please let me know so I can these to the list on http://marcelswart.eu/dft-poll/reviews.html as well. There are a little over 24 hours remaining before the start, so start prepare yourself for the 2017 edition of the DFTpoll. Marcel _____________________________________ Prof Dr Marcel Swart, FRSC ICREA Research Professor at Institut de Qumica Computacional i Catlisi (IQCC) Univ. Girona (Spain) COST Action CM1305 (ECOSTBio) chair Girona Seminar 2016 organizer IQCC director Young Academy of Europe (Board) member Web http://www.marcelswart.eu vCard addressbook://www.marcelswart.eu/MSwart.vcf From owner-chemistry@ccl.net Tue May 30 18:15:01 2017 From: "amr hamed dramr83 .. gmail.com" To: CCL Subject: CCL:G: Using GDMA with molden file Message-Id: <-52817-170530181403-17492-oZbn+92gvY/JnVCBy2e6ag-#-server.ccl.net> X-Original-From: "amr hamed" Date: Tue, 30 May 2017 18:14:01 -0400 Sent to CCL by: "amr hamed" [dramr83 . gmail.com] Dear all, I am looking for a way to use Stone's GDMA with a molden file created by Terachem. I know that molden can be converted to wfn or wfx using molden2aim however GDMA accepts only fchk (gaussian formatted check file) as an input. With best regards, Amr Hamed