September 2015 Archives by subject

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Starting: Tue Sep 1 02:25:59 UTC 2015
Ending: Wed Sep 30 15:13:43 UTC 2015
Messages: 89

[CP2K:6938] Re: how to make restart file disappear Huan Wang
[CP2K:6940] Re-optimising transition state using dimer method S Ling
[CP2K:6941] Optimizing Nickel Cluster S Ling
[CP2K:6948] KPoint Implmentation in CP2K hut... at chem.uzh.ch
[CP2K:6948] KPoint Implmentation in CP2K Declan Scullion
[CP2K:6953] Use the LSD option for an odd number of electrons Zhendong Guo
[CP2K:6954] Use the LSD option for an odd number of electrons Kit Tang
[CP2K:6956] KPoint Implmentation in CP2K Juerg Hutter
[CP2K:6956] KPoint Implmentation in CP2K Declan Scullion
[CP2K:6957] KPoint Implmentation in CP2K S Ling
[CP2K:6962] RUN_TYPE ENERGY with multiple configurations Ondrej Marsalek
[CP2K:6967] Re: Re-optimising transition state using dimer method luca
[CP2K:6980] Re: Re-optimising transition state using dimer method S Ling
[CP2K:6980] Re: Re-optimising transition state using dimer method luca
[CP2K:6980] Re: Re-optimising transition state using dimer method luca
[CP2K:6983] Re: Re-optimising transition state using dimer method luca
[CP2K:6995] Mixing Method Recommendation S Ling
[CP2K:6995] Mixing Method Recommendation Chris Campbell
[CP2K:6996] Mixing Method Recommendation S Ling
[CP2K:6996] Mixing Method Recommendation Chris Campbell
[CP2K:6999] Mixing Method Recommendation S Ling
[CP2K:7009] Re: New CP2K sub-release 2.6.2 available for download Krack Matthias (PSI)
[CP2K:7015] path-integral MD using PINT S Ling
Announcement: Intel or PGI compiled binaries ignore CHARMM 1-4 interactions Ole Schütt
A suggestion Manuel Corral
A suggestion Samuel Andermatt
CI-NEB: Significant change in intermediate geometries. Natalie Austin
CI-NEB calculations Nasir Ahmad Rajabi
CI-NEB calculations Conrad
CI-NEB calculations Nasir Ahmad Rajabi
CI-NEB calculations Marcella Iannuzzi
CI-NEB calculations Nasir Ahmad Rajabi
Compiling small matrix multiplication library on a Mac (Yosemite) Andrew Horsfield
Compiling small matrix multiplication library on a Mac (Yosemite) Rolf David
Convergence problem Geng Sun
cube file generation issue Rizwan Nabi
cube file generation issue Matt W
Dependency installation using install_cp2k_toolchain.sh Suman Chakrabarty
Dependency installation using install_cp2k_toolchain.sh Ole Schütt
ECONS_START_VAL Manuel Corral
ECONS_START_VAL Samuel Andermatt
ERROR in rs_pw_transfer during cell optimization Olivia Lynes
ERROR in rs_pw_transfer during cell optimization Matt W
ERROR in rs_pw_transfer during cell optimization Olivia Lynes
ERROR in rs_pw_transfer during cell optimization Matt W
ET_COUPLING marta bon
Fractional occupied orbitals Natalie Austin
how to choose the frequency at which stress is calculated lar... at lbl.gov
how to choose the frequency at which stress is calculated Matt W
how to choose the frequency at which stress is calculated lar... at lbl.gov
how to make restart file disappear 王胜杰
how to make restart file disappear huan... at mail.huji.ac.il
how to make restart file disappear Rolf David
how to make restart file disappear 王胜杰
how to make restart file disappear 王胜杰
How to understand the keywords atoms_from and atoms_to in the colvars?? ning.zh... at gmail.com
How to understand the keywords atoms_from and atoms_to in the colvars?? Marcella Iannuzzi
How to understand the keywords atoms_from and atoms_to in the colvars?? ning.zh... at gmail.com
How to understand the keywords atoms_from and atoms_to in the colvars?? Marcella Iannuzzi
How to understand the keywords atoms_from and atoms_to in the colvars?? ning.zh... at gmail.com
How to understand the keywords atoms_from and atoms_to in the colvars?? ning.zh... at gmail.com
Is it good practice to use OT when studying reactions (e.g. when using METADYNAMICS or NEB) Christopher O'Brien
k-point in CP2K Declan Scullion
KPoint Implmentation in CP2K Declan Scullion
Mixing Method Recommendation Chris Campbell
Mixing Method Recommendation Chris Campbell
New CP2K sub-release 2.6.2 available for download Matthias Krack
New CP2K sub-release 2.6.2 available for download Olivia Lynes
Optimizing Nickel Cluster Natalie Austin
path-integral MD using PINT lar... at lbl.gov
query on MM Radii tarak karmakar
Re-optimising transition state using dimer method Tobias Kraemer
Re-optimising transition state using dimer method Tobias Kraemer
Re-optimising transition state using dimer method Matt W
Re-optimising transition state using dimer method Tobias Kraemer
Re-optimising transition state using dimer method Matt W
Re-optimising transition state using dimer method Tobias Kraemer
Re-optimising transition state using dimer method Tobias Kraemer
Re-optimising transition state using dimer method Tobias Kraemer
RUN_TYPE ENERGY with multiple configurations Nuri Yazdani
Segmentation Fault Problem marcolin... at gmail.com
Segmentation Fault Problem marcolin... at gmail.com
Segmentation Fault Problem Andreas Glöss
Segmentation Fault Problem marcolin... at gmail.com
selecting coordinates from .dcd for next step of QM/MM simulation tarak karmakar
spline problem with GENPOT daniel.... at gmail.com
strange convergence problem about cp2k qmmm Geng Sun
Use the LSD option for an odd number of electrons Kit Tang
Why is Diagonalization so much slower than OT? Christopher O'Brien

Last message date: Wed Sep 30 15:13:43 UTC 2015
Archived on: Thu Mar 3 11:47:36 UTC 2022

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