December 2017 Archives by subject

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

Starting: Fri Dec 1 08:23:48 UTC 2017
Ending: Fri Dec 29 21:20:18 UTC 2017
Messages: 69

[CP2K:9757] MGRID vs KPOINTS for small systems hut... at chem.uzh.ch
[CP2K:9757] MGRID vs KPOINTS for small systems Sebastian Hütter
[CP2K:9763] MGRID vs KPOINTS for small systems hut... at chem.uzh.ch
[CP2K:9772] Re: RAMAN spectrum from AIMD hut... at chem.uzh.ch
[CP2K:9772] Re: RAMAN spectrum from AIMD hut... at chem.uzh.ch
[CP2K:9772] Re: RAMAN spectrum from AIMD ION SUCH
[CP2K:9796] Re: CP2K in macos highsierra iain.b... at stfc.ac.uk
[CP2K:9803] Problems of shell model and optimization Krack Matthias (PSI)
[CP2K:9803] Problems of shell model and optimization zuohen... at gmail.com
[CP2K:9803] Problems of shell model and optimization zuohen... at gmail.com
[CP2K:9803] Problems of shell model and optimization Matthias Krack
compilation problems or not depending on the machine with the # symbol David Lopez
Conflict in parameters of unit cell after CELL_OPTIMIZATION Mengzi Zhou
Convergence problem for lanthanide ion ningz... at gmail.com
Convergence problem for lanthanide ion Jincheng Liu
cp2k.ssmp maximum number of threads? Alfio Lazzaro
CP2K 5.1 / IC 2018 regtests drahomirko
CP2K 5.1 / IC 2018 regtests drahomirko
CP2K 5.1 / IC 2018 regtests Alfio Lazzaro
CP2K 5.1 / IC 2018 regtests drahomirko
CP2K 5.1 / IC 2018 regtests Alfio Lazzaro
CP2K in macos highsierra Ghadafi Muhamad
cp2k lennard jones units Bartholomeo Pietzu
cp2k lennard jones units Nico Holmberg
cp2k lennard jones units Matt W
CP2K output files during mixed force evaluations Jadzia
CP2K output files during mixed force evaluations Jadzia
CP2K tutorial for biochemical systems Qing Feng
energy reference Xiaoming Wang
fix charge density or nscf Xiaoming Wang
How to add smooth wall(Morse potential) in QM NPT MD? Xinyan Wang
How to add smooth wall(Morse potential) in QM NPT MD? jts2t... at gmail.com
How to add smooth wall(Morse potential) in QM NPT MD? Jian Jiang
How to add smooth wall(Morse potential) in QM NPT MD? Jian Jiang
How to add smooth wall(Morse potential) in QM NPT MD? Tianshu Jiang in Beijing
How to estimate QMMM box dimensions Rahul Hardikar
How to estimate QMMM box dimensions Tianshu Jiang in Beijing
MC probability bug in PMTRAION flag Cho S
MC probability bug in PMTRAION flag Cho S
MGRID vs KPOINTS for small systems Sebastian Hütter
Optimizing force-field with AmberTools for small organic molecules in water dr.bra... at gmail.com
Problem of adbf QM/MM ningz... at gmail.com
Problem of adbf QM/MM Rahul Hardikar
Problems exists in printing cube file in a QMMM simulation Tianshu Jiang in Beijing
Problems exists in printing cube file in a QMMM simulation Matt W
Problems exists in printing cube file in a QMMM simulation Tianshu Jiang in Beijing
Problems exists in printing cube file in a QMMM simulation Matt W
Problems exists in printing cube file in a QMMM simulation Tianshu Jiang in Beijing
Problems exists in printing cube file in a QMMM simulation Tianshu Jiang in Beijing
Problems of shell model and optimization zuohen... at gmail.com
PSF file format. Contiguous molecule. ganta.pra... at gmail.com
Questions about QM/MM excercises Tianshu Jiang in Beijing
Questions about QM/MM excercises Chanwoo Noh
Questions about QM/MM excercises Tianshu Jiang in Beijing
Questions about QM/MM excercises Tianshu Jiang in Beijing
RAMAN spectrum from AIMD nju... at gmail.com
SIC for delocalized unpaired electron Xiaoming Wang
SIC for delocalized unpaired electron Xiaoming Wang
Some problems about the grid point of pot.cube file in the EXTERNAL_POTENTIAL subsection jts2t... at gmail.com
Some problems about the grid point of pot.cube file in the EXTERNAL_POTENTIAL subsection Nico Holmberg
Some problems about the grid point of pot.cube file in the EXTERNAL_POTENTIAL subsection jts2t... at gmail.com
Some problems about the grid point of pot.cube file in the EXTERNAL_POTENTIAL subsection Tianshu Jiang in Beijing
Some problems about the grid point of pot.cube file in the EXTERNAL_POTENTIAL subsection Nico Holmberg
Some problems about the grid point of pot.cube file in the EXTERNAL_POTENTIAL subsection Tianshu Jiang in Beijing
Thermodynamics with CP2K Anton Kudelin
Thermodynamics with CP2K Tianshu Jiang in Beijing
Thermodynamics with CP2K Anton Kudelin
Thermodynamics with CP2K Vladimir Rybkin
Topology error MM. PSF format. ganta.pra... at gmail.com

Last message date: Fri Dec 29 21:20:18 UTC 2017
Archived on: Thu Mar 3 11:47:40 UTC 2022

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

This archive was generated by Pipermail 0.09 (Mailman edition).