December 2010 Archives by subject

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Starting: Wed Dec 1 13:41:19 UTC 2010
Ending: Tue Dec 28 09:06:36 UTC 2010
Messages: 71

• 2.1.xxx VS 2.2.xxx?   Muhammad Radifar
• [CECAM Tutorial] 2nd CP2K Tutorial: Enabling the Power of Imagination in MD Simulations.   Teodoro Laino
• [CP2K:0] Bug in cube file printing?   Fawzi Mohamed
• [CP2K:0] Bug in cube file printing?   Muhammad Radifar
• [CP2K:2929] DFT-D   Jörg Saßmannshausen
• [CP2K:2955] questions on alchemical change   Teodoro Laino
• [CP2K:2958] GEO_OPT   Teodoro Laino
• [CP2K:2959] GEO_OPT   Sasha Batyrev
• [CP2K:2961] coordination number as a collective variable   Teodoro Laino
• [CP2K:2962] GEO_OPT   Teodoro Laino
• [CP2K:2966] no fictitious mass in cp2k?   Peter Tentscher
• [CP2K:2971] Re: Lowdin analysis   Manh-Thuong Nguyen
• [CP2K:2971] Re: Lowdin analysis   Teodoro Laino
• [CP2K:2975] Re: Lowdin analysis   Teodoro Laino
• [CP2K:2977] Re: Lowdin analysis   Laino Teodoro
• [CP2K:2979] Re: Lowdin analysis   Laino Teodoro
• [CP2K:2981] Re: Lowdin analysis   Teodoro Laino
• [CP2K:2984] Semi-emprical methods   Teodoro Laino
• [CP2K:2988] ERROR in cp_fm_syevd_base   Urban Borštnik
• [CP2K:2998] 2.1.xxx VS 2.2.xxx?   Laino Teodoro
• [CP2K:3001] COMBINE_COLVAR   Teodoro Laino
• [CP2K:3004] Re: pseudopotential for charged atoms ?   Valerio Bellini
• [CP2K:3007] compilation   hut... at pci.uzh.ch
• [CP2K:3013] Re: DFT-D   Jörg Saßmannshausen
• [CP2K:3018] Re: visualizing dftb orbital density   Nguyen Ngoc Ha
• [CP2K:3024] A strange problem about hybrid-DFT combined with all-electron calculation   hut... at pci.uzh.ch
• [CP2K:3025] A strange problem about hybrid-DFT combined with all-electron calculation   Igor Ying Zhang
• [CP2K:3026] A strange problem about hybrid-DFT combined with all-electron calculation   hut... at pci.uzh.ch
• A strange problem about hybrid-DFT combined with all-electron calculation   Igor Ying Zhang
• aug-TZVP-GTH basis set for Ag, Au and Cu   Hanning Chen
• aug-TZVP-GTH basis set for Ag, Au and Cu   Matthias Krack
• Bug in cube file printing?   Muhammad Radifar
• CECAM TUTORIAL: "Hybrid Quantum Mechanics/Molecular Mechanics (QM/MM) Approaches to Biochemistry (and beyond)"   Teodoro Laino
• COMBINE_COLVAR   Ali
• compilation   jean-louis
• coordination number as a collective variable   sonali bankura
• DFT-D   Matthias Krack
• DFT-D   Matt W
• ERROR in cp_fm_syevd_base   jing liu
• ERROR in ot diis with cp2k-2_1-branch   Liu
• GEO_OPT   sashab
• Lowdin analysis   Manh
• Lowdin analysis   Matthias Krack
• Lowdin analysis   Matthias Krack
• Lowdin analysis   Matthias Krack
• Lowdin analysis   Matthias Krack
• Lowdin analysis   Matthias Krack
• Lowdin analysis   Matthias Krack
• Need input example for metadynamics using QM/MM   Muhammad Radifar
• no fictitious mass in cp2k?   Muhammad Radifar
• no fictitious mass in cp2k?   Muhammad Radifar
• Pressure in bulk system depends on 1-4 neighbour electrostatics ?   Lukasz Walewski
• pseudopotential for charged atoms ?   Valerio Bellini
• pseudopotential for charged atoms ?   Matthias Krack
• questions on alchemical change   Liu
• restarting calcuation   LS
• restarting calcuation   salah
• Semi-emprical methods   Matt McGrath
• Semi-emprical methods   Matt McGrath
• STRIDE keyword   agilemolecule
• visualizing dftb orbital density   Maricris
• visualizing dftb orbital density   Muhammad Radifar
• visualizing dftb orbital density   Maricris
• visualizing dftb orbital density   Muhammad Radifar
• visualizing dftb orbital density   Muhammad Radifar
• Wannier Spread   malay rana
• {SPAM?} [CP2K:2994] Re: DFT-D   Jörg Saßmannshausen
• {SPAM?} [CP2K:2994] Re: DFT-D   Matthias Krack
• {SPAM?} [CP2K:3008] Re: DFT-D   Teodoro Laino
• {SPAM?} [CP2K:3010] Re: DFT-D   Teodoro Laino
• {SPAM?} [CP2K:3010] Re: DFT-D   Matthias Krack

Last message date: Tue Dec 28 09:06:36 UTC 2010
Archived on: Thu Mar 3 11:47:28 UTC 2022

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