17 Sep 2003 RickMuller   » (Journeyer)

Went to the ACS meeting last week in NYC. First time in NYC in years, and first time there with my ex-New Yorker wife. My son, Alex, had a wonderful time there, and was constantly fascinated by the mobs of people swarming around his carriage.

Heartened by the recent interest in Generalized Valence Bond Wave Functions, which was generated mostly by Martin Head-Gordon's recent forays into the field. Emily Carter also reminded me why GVB-CI calculations were a good idea in the first place, and is getting nice size-extensivity from ACPF calculations.

I intend to code up each one of these into PyQuante as time permits.

Also interested that more people are picking up on wavelets as quantum chemical basis sets. Still don't know how to program the damn things, though.

Really enjoy the workstation version of MPICH that I've been playing with. I can run on my two-processor workstation and MPICH makes it look like I've got an 8-processor cluster by spawning separate threads. Maybe that doesn't excite everyone, but it certainly speeds up my development cycle.

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