April 2013 Archives by subject

• Messages sorted by: [ thread ] [ author ] [ date ]
• More info on this list...

Starting: Tue Apr 2 14:02:58 UTC 2013
Ending: Tue Apr 30 07:18:01 UTC 2013
Messages: 42

• [CP2K:3608] View this page "Using Multiple Walkers in the built-in Metadynamics module"   Martin
• [CP2K:4369] Fix bond length and angle   Ari Paavo Seitsonen
• [CP2K:4371] FORCE_MIXING and QM TEMPERATURE   Teodoro Laino
• [CP2K:4372] FORCE_MIXING and QM TEMPERATURE   Pietro Vidossich
• [CP2K:4373] FORCE_MIXING and QM TEMPERATURE   Teodoro Laino
• [CP2K:4373] FORCE_MIXING and QM TEMPERATURE   Teodoro Laino
• [CP2K:4375] FORCE_MIXING and QM TEMPERATURE   Noam Bernstein
• [CP2K:4378] SE virial   hut... at pci.uzh.ch
• [CP2K:4380] Inconsistency in EMSL basis sets (missing basis function in oxygen 6-31++G** basis set)   hut... at pci.uzh.ch
• [CP2K:4386] AM1 parameter bug   Teodoro Laino
• [CP2K:4386] Re: help me to find rVV10_kernel_table.dat file   Bonakala Satyanarayana
• [CP2K:4388] amber torsion energy   Teodoro Laino
• [CP2K:4390] amber torsion energy   Letif Mones
• [CP2K:4395] Re: help me to find rVV10_kernel_table.dat file   Bonakala Satyanarayana
• [CP2K:4397] Patch to print out orbitals in the atom program (+tests)   hut... at pci.uzh.ch
• [CP2K:4399] Enquiry about the error   Urban Borštnik
• [CP2K:4400] Patch to print out orbitals in the atom program (+tests)   Toon Verstraelen
• About the init guess   jjf_... at yahoo.com.cn
• About the PDOS by cp2k   Jianfeng Jia
• About the PDOS by cp2k   saner
• additional ghost basis for STM calc   Matt W
• additional ghost basis for STM calc   Matt W
• AM1 parameter bug   Letif Mones
• amber torsion energy   Letif Mones
• CELL_OPT references   saner
• Compilation error gcc 4.8.0   ritwik
• CONNECTIVITY/CONN_FILE_FORMAT USER   Chuong
• Electrostatic potential written in cube file   labicia
• Electrostatic potential written in cube file   marci
• Enquiry about the error   Kieran
• examples on : fixing ions during relaxation / usage as a library   Denis Davydov
• Extended deadlines - Psi-k Summer School on Ab Initio Molecular Dynamics for Biomolecules   l.gu... at gmail.com
• Fix bond length and angle   Jinyu Li
• FORCE_MIXING and QM TEMPERATURE   Pietro Vidossich
• help me to find rVV10_kernel_table.dat file   satya
• help me to find rVV10_kernel_table.dat file   Matt W
• help me to find rVV10_kernel_table.dat file   Matt W
• Inconsistency in EMSL basis sets (missing basis function in oxygen 6-31++G** basis set)   Frank Uhlig
• Patch to print out orbitals in the atom program (+tests)   Toon Verstraelen
• Possible Bug in printing Triclinic Box Coordinates for PDB?   DEC014
• SE virial   Letif Mones
• XRD of Water   Pankaj Mishra

Last message date: Tue Apr 30 07:18:01 UTC 2013
Archived on: Thu Mar 3 11:47:31 UTC 2022

• Messages sorted by: [ thread ] [ author ] [ date ]
• More info on this list...