January 2013 Archives by date

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Starting: Sat Jan 5 17:10:22 UTC 2013
Ending: Wed Jan 30 03:15:18 UTC 2013
Messages: 38

• charge constrain DDAPC=Mulliken?   YE-FEI LI
• HOW-TO: Building a parallel and CUDA-enabled CP2K binary in a 64-bit Linux box with GNU compilers   labicia
• second derivative of Hartree-Fock exact exchange   NUCP2K
• Becke-Johnson damping function - DFT-D3   Sandeep Kumar Reddy
• [CP2K:4244] Becke-Johnson damping function - DFT-D3   hut... at pci.uzh.ch
• [CP2K:4244] second derivative of Hartree-Fock exact exchange   hut... at pci.uzh.ch
• [CP2K:4245] Becke-Johnson damping function - DFT-D3   Sandeep Kumar Reddy
• [CP2K:4232] GTH BLYP and B3LYP basis sets and pseudopotentials for Fe   Lavinia
• [CP2K:4249] GTH BLYP and B3LYP basis sets and pseudopotentials for Fe   hut... at pci.uzh.ch
• [CP2K:4243] Re: HOW-TO: Building a parallel and CUDA-enabled CP2K binary in a 64-bit Linux box with GNU compilers   Miro Moman
• Parallel cp2k installation trouble   Jana
• [CP2K:4252] Parallel cp2k installation trouble   Urban Borštnik
• [CP2K:4252] Parallel cp2k installation trouble   Jana
• FFTSG library required for wavelet based Poisson's solver   JingQiang
• [CP2K:4255] Poisson Solver's requirement for FFTSG library   hut... at pci.uzh.ch
• [CP2K:4252] Parallel cp2k installation trouble   Jana
• [CP2K:4257] Parallel cp2k installation trouble   Alin M Elena
• [CP2K:4257] Parallel cp2k installation trouble   Jana
• kohn sham potential in cp2k   Jun
• [CP2K:4257] Parallel cp2k installation trouble   Jörg Saßmannshausen
• [CP2K:4257] Parallel cp2k installation trouble   Jana
• [CP2K:4257] Parallel cp2k installation trouble   Alin M Elena
• missing variable in OpenMP clause?   Alfio Lazzaro
• [CP2K:4257] Parallel cp2k installation trouble   Jörg Saßmannshausen
• MD Problem   SeokYun
• MD Problem   SeokYun
• [CP2K:4255] Poisson Solver's requirement for FFTSG library   JingQiang
• [CP2K:4264] missing variable in OpenMP clause?   Iain Bethune
• Intel Xeon Phi Coprocessor 1 Teraflop performance   Samuel Lamphier
• how to calculate the energy gap of crystal using cp2k   bandgap
• Intel Xeon Phi Coprocessor 1 Teraflop performance   Alfio Lazzaro
• MD   SeokYun
• MD   SeokYun
• About applying electric field in CP2K   Yun-Wen Chen
• CP2K intel MPI + intel/13.0.1.117 running problem   Guanguri Qian
• [CP2K:4276] CP2K intel MPI + intel/13.0.1.117 running problem   Ole Schütt
• [CP2K:4276] CP2K intel MPI + intel/13.0.1.117 running problem   Guanguri Qian
• which potential file should be used for periodic system for energy calculation   bandgap

Last message date: Wed Jan 30 03:15:18 UTC 2013
Archived on: Thu Mar 3 11:47:30 UTC 2022

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