May 2008 Archives by author

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Starting: Thu May 1 18:55:16 UTC 2008
Ending: Sat May 31 16:52:31 UTC 2008
Messages: 89

• harmonic restraint functional form   Ali
• bond orders   Ali
• input coordinates & charges   Axel
• Harmonic Force Constants   Axel
• input coordinates & charges   Axel
• Harmonic Force Constants   Axel
• Once again about periodic colvar   Axel
• Discussion on cp2k-release-supported-features-wishlist   Axel
• CFP: 3rd Annual CMM Workshop on QM/MM Simulations   Axel
• bond orders   Axel
• Discussion on cp2k-release-supported-features-wishlist   Axel
• Discussion on cp2k-release-supported-features-wishlist   Axel
• Discussion on cp2k-release-supported-features-wishlist   Axel
• large variation in the pressure   Axel
• reaction profile   Francesco
• COM motion   Francesco
• reproduce the recipe   Francesco
• PM6   Teodoro Laino
• [CP2K:1000] harmonic restraint functional form   Teodoro Laino
• [CP2K:1003] COLVAR printing   Teodoro Laino
• [CP2K:1005] Re: COLVAR printing   Teodoro Laino
• [CP2K:1008] Re: COLVAR printing   Teodoro Laino
• [CP2K:1010] reaction profile   Teodoro Laino
• [CP2K:1012] input coordinates & charges   Teodoro Laino
• [CP2K:1015] Re: input coordinates & charges   Teodoro Laino
• [CP2K:1017] STRESS_TENSOR in QM/MM   Teodoro Laino
• [CP2K:1017] STRESS_TENSOR in QM/MM   Teodoro Laino
• [CP2K:1020] Harmonic Force Constants   Teodoro Laino
• [CP2K:1025] Re: input coordinates & charges   Teodoro Laino
• [CP2K:1027] Several colvars   Teodoro Laino
• PM6 - validated   Teodoro Laino
• [CP2K:1035] Re: input coordinates & charges   Teodoro Laino
• [CP2K:1037] Re: input coordinates & charges   Teodoro Laino
• [CP2K:1042] Once again about periodic colvar   Teodoro Laino
• [CP2K:1049] Re: Once again about periodic colvar   Teodoro Laino
• [CP2K:1051] Re: Once again about periodic colvar   Teodoro Laino
• [CP2K:1053] Velcoities printed are different   Teodoro Laino
• [CP2K:1055] Re: Velcoities printed are different   Teodoro Laino
• [CP2K:1058] Discussion on cp2k-release-supported-features-wishlist   Teodoro Laino
• [CP2K:1064] Locating TS   Teodoro Laino
• [CP2K:1063] Re: Discussion on cp2k-release-supported-features-wishlist   Teodoro Laino
• [CP2K:1071] Re: Discussion on cp2k-release-supported-features-wishlist   Teodoro Laino
• [CP2K:1073] Re: Discussion on cp2k-release-supported-features-wishlist   Teodoro Laino
• [CP2K:/] Re: Discussion on cp2k-release-supported-features-wishlist   Teodoro Laino
• [CP2K:1076] COM motion   Teodoro Laino
• [CP2K:1078] Re: Discussion on cp2k-release-supported-features-wishlist   Teodoro Laino
• [CP2K:1084] large variation in the pressure   Teodoro Laino
• cp2k.popt and g95   Luca
• [CP2K:1032] cp2k.popt and g95   Luca
• [CP2K:1033] Re: cp2k.popt and g95   Luca
• [CP2K:1035] Re: input coordinates & charges   Fawzi Mohamed
• [CP2K:1039] Re: input coordinates & charges   Fawzi Mohamed
• Velcoities printed are different   Rad
• Velcoities printed are different   Rad
• Velcoities printed are different   Rad
• Harmonic Force Constants   Jack Shultz
• [CP2K:1021] Re: Harmonic Force Constants   Jack Shultz
• [CP2K:1021] Re: Harmonic Force Constants   Jack Shultz
• [CP2K:1024] Re: Harmonic Force Constants   Jack Shultz
• STRESS_TENSOR in QM/MM   Bart De Sterck
• input coordinates & charges   Csilla Varnai
• [CP2K:1013] Re: input coordinates & charges   Csilla Varnai
• [CP2K:1013] Re: input coordinates & charges   Csilla Varnai
• [CP2K:1031] Re: input coordinates & charges   Csilla Varnai
• [CP2K:1038] Re: input coordinates & charges   Csilla Varnai
• [CP2K:1020] Harmonic Force Constants   Toon Verstraelen
• Discussion on cp2k-release-supported-features-wishlist   Matt W
• Suggestion (BASIS_SET, POTENTIAL, ...)   ilya
• COLVAR printing   ilya
• COLVAR printing   ilya
• COLVAR printing   ilya
• COLVAR printing   ilya
• Several colvars   ilya
• Several colvars   ilya
• Once again about periodic colvar   ilya
• Once again about periodic colvar   ilya
• Once again about periodic colvar   ilya
• Once again about periodic colvar   ilya
• Once again about periodic colvar   ilya
• Discussion on cp2k-release-supported-features-wishlist   ilya
• Locating TS   ilya
• Locating TS   ilya
• Discussion on cp2k-release-supported-features-wishlist   ilya
• Discussion on cp2k-release-supported-features-wishlist   ilya
• Discussion on cp2k-release-supported-features-wishlist   ilya
• Discussion on cp2k-release-supported-features-wishlist   ilya
• reproduce the recipe   ilya
• large variation in the pressure   marc
• large variation in the pressure   marc

Last message date: Sat May 31 16:52:31 UTC 2008
Archived on: Thu Mar 3 11:47:24 UTC 2022

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