October 2021 Archives by subject

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Starting: Tue Oct 26 03:50:08 UTC 2021
Ending: Sat Oct 30 21:42:52 UTC 2021
Messages: 29

• [CP2K-user] [CP2K:16121] How to optimized dimer or higher cluster in cp2k   sumit agrawal
• [CP2K-user] [CP2K:16123] Unknown element - QM/MM simulations with CP2K using AmberTools   qingh... at gmail.com
• [CP2K-user] [CP2K:16124] Some questions related to dipole moment in CP2K   Kaixuan Chen
• [CP2K-user] [CP2K:16125] Installing cp2k fails at make -j $(get_nprocs) > make.log 2>&1   Paul Arias
• [CP2K-user] [CP2K:16126] lagrangian multipliers & multiple time step (RESPA)   Jinggang Lan
• [CP2K-user] [CP2K:16127] Cell Optimization Not Converged for Copper   GENG YUAN
• [CP2K-user] [CP2K:16128] Re: lagrangian multipliers & multiple time step (RESPA)   Vladimir Rybkin
• [CP2K-user] [CP2K:16128] The meaning of a parmeter:cmass in msst of cp2k   eykelhofmikaylynn01 at gmail.com
• [CP2K-user] [CP2K:16129] Installing cp2k fails at make -j $(get_nprocs) > make.log 2>&1   Alin Marin Elena
• [CP2K-user] [CP2K:16130] Cell Optimization Not Converged for Copper   Fabian Ducry
• [CP2K-user] [CP2K:16133] Installing cp2k fails at make -j $(get_nprocs) > make.log 2>&1   Paul Arias
• [CP2K-user] [CP2K:16133] Installing cp2k fails at make -j $(get_nprocs) > make.log 2>&1   Alin Marin Elena
• [CP2K-user] [CP2K:16134] Installing cp2k fails at make -j $(get_nprocs) > make.log 2>&1   Fatih Ertinaz
• [CP2K-user] [CP2K:16136] Cell Optimization Not Converged for Copper   GENG YUAN
• [CP2K-user] [CP2K:16136] Installing cp2k fails at make -j $(get_nprocs) > make.log 2>&1   Fabian Ducry
• [CP2K-user] [CP2K:16137] Cell Optimization Not Converged for Copper   Fabian Ducry
• [CP2K-user] [CP2K:16139] Adsorption enthalpy and free energy in cp2k   Gayathri Vijayakumar
• [CP2K-user] [CP2K:16140] Create new trajectory file every n steps during MD   Matt D
• [CP2K-user] [CP2K:16141] Cell Optimization Not Converged for Copper   GENG YUAN
• [CP2K-user] [CP2K:16141] N2_cell_optimization   sumit agrawal
• [CP2K-user] [CP2K:16142] N2_cell_optimization   Fabian Ducry
• [CP2K-user] [CP2K:16144] cp2k hang on OPTIMIZATION STEP: 1   arvind misra
• [CP2K-user] [CP2K:16144] cp2k hang on OPTIMIZATION STEP: 1   Krack Matthias (PSI)
• [CP2K-user] [CP2K:16146] cp2k 8.2 issue   arvind misra
• [CP2K-user] [CP2K:16146] Create new trajectory file every n steps during MD   Krack Matthias (PSI)
• [CP2K-user] [CP2K:16148] Regtest Segfaults with PSMP Intel ONEAPI 2021.3.0   Tat
• [CP2K-user] [CP2K:16149] DFT+U bandstructure   oandr... at gmail.com
• [CP2K-user] [CP2K:16150] Running cp2k with Docker.cuda   Ray Schireman
• [CP2K-user] {Spam?} [CP2K:16131] The meaning of a parmeter:cmass in msst of cp2k   Krack Matthias (PSI)

Last message date: Sat Oct 30 21:42:52 UTC 2021
Archived on: Thu Mar 3 11:47:49 UTC 2022

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