October 2008 Archives by date

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

Starting: Wed Oct 1 09:38:59 UTC 2008
Ending: Thu Oct 30 20:07:32 UTC 2008
Messages: 141

The meaning of the name CP2K ilya
GAPW/LINRES problems vweber
[CP2K:1374] The meaning of the name CP2K Juerg Hutter
The meaning of the name CP2K ilya
EAM Force Field for Au nadler
[CP2K:1378] Re: EAM Force Field for Au Laino Teodoro
k-point sampling in CP2K spak
[CP2K:1380] k-point sampling in CP2K Laino Teodoro
k-point sampling in CP2K spak
[CP2K:1380] k-point sampling in CP2K Juerg Hutter
[CP2K:1382] Re: k-point sampling in CP2K Juerg Hutter
[CP2K:1382] Re: k-point sampling in CP2K carlo antonio pignedoli
EMAX_SPLINE too small salah
[CP2K:1386] EMAX_SPLINE too small Laino Teodoro
[CP2K:1386] EMAX_SPLINE too small Laino Teodoro
EMAX_SPLINE too small salah
k-point sampling in CP2K spak
[CP2K:1389] Re: EMAX_SPLINE too small Laino Teodoro
orbital decomposition spak
[CP2K:1389] Re: EMAX_SPLINE too small Laino Teodoro
EMAX_SPLINE too small salah
EMAX_SPLINE too small salah
EMAX_SPLINE too small Matt W
[CP2K:1395] Re: EMAX_SPLINE too small Laino Teodoro
EMAX_SPLINE too small salah
[CP2K:1398] Re: EMAX_SPLINE too small Laino Teodoro
EAM/MEAM salah
Core level shift c.pignedoli
[CP2K:1401] Core level shift Marcella Iannuzzi
[CP2K:1402] Re: Core level shift carlo antonio pignedoli
Core level shift marci
[CP2K:1404] Re: Core level shift carlo antonio pignedoli
[CP2K:1372] EAM Force Field for Au Laino Teodoro
[CP2K:/] EAM/MEAM Juerg Hutter
EAM/MEAM Axel
Force field for fully flexible water nadler
Force field for fully flexible water Axel
Well-Tempered Metadynamics ilya
[CP2K:1411] Well-Tempered Metadynamics Laino Teodoro
[CP2K:1409] Force field for fully flexible water Laino Teodoro
Force field for fully flexible water nadler
[CP2K:1414] Re: Force field for fully flexible water Laino Teodoro
NPT simulations tomfrigato
EAM/MEAM salah
[CP2K:1416] NPT simulations Laino Teodoro
Force field for fully flexible water nadler
[CP2K:1417] Re: EAM/MEAM Laino Teodoro
[CP2K:1416] NPT simulations Juerg Hutter
EAM/MEAM Axel
Specifying QM/MM system ilya
[CP2K:1423] Specifying QM/MM system Laino Teodoro
Specifying QM/MM system ilya
[CP2K:1424] Re: Specifying QM/MM system Marius Retegan
[CP2K:1426] Re: Specifying QM/MM system Laino Teodoro
Core and valence contributions to the Hyperfine parameters Ahmad
Copper pseudopotential Francesco
[CP2K:1429] Copper pseudopotential Laino Teodoro
[CP2K:1429] Copper pseudopotential Juerg Hutter
Copper pseudopotential Francesco
[CP2K:1431] Re: Copper pseudopotential Laino Teodoro
[CP2K:1428] Core and valence contributions to the Hyperfine parameters Juerg Hutter
NPT simulations tomfrigato
UKS calculations with HCTH120 functional tomfrigato
[CP2K:1436] UKS calculations with HCTH120 functional Juerg Hutter
PDB dump format ilya
[CP2K:1438] PDB dump format Laino Teodoro
PDB dump format ilya
No TARGET field in FIXED_ATOMS section ilya
[CP2K:1441] No TARGET field in FIXED_ATOMS section Laino Teodoro
[CP2K:1441] No TARGET field in FIXED_ATOMS section Laino Teodoro
Path-integrals status Axel
unexpected outputs with current cvs code Axel
[CP2K:1445] unexpected outputs with current cvs code Laino Teodoro
Path-integrals status Harald Forbert
[CP2K:1444] Path-integrals status Fawzi Mohamed
charged system with CP2K S. Ling
[CP2K:1449] charged system with CP2K Laino Teodoro
charged system with CP2K Axel
charged system with CP2K S. Ling
charged system with CP2K S. Ling
Compiling cp2k serial on x86_64 Intel Xeon Intel Ifort Suse Enterprise 9 Roberto Scipioni
Compiling cp2k serial on x86_64 Intel Xeon Intel Ifort Suse Enterprise 9 Roberto Scipioni
Compiling cp2k serial on x86_64 Intel Xeon Intel Ifort Suse Enterprise 9 Axel
R: [CP2K:1456] Re: Compiling cp2k serial on x86_64 Intel Xeon Intel Ifort Suse Enterprise 9 Roberto Scipioni
R: [CP2K:1456] Re: Compiling cp2k serial on x86_64 Intel Xeon Intel Ifort Suse Enterprise 9 Axel
molecular dipoles of charged molecules Axel
R: [CP2K:1456] Re: Compiling cp2k serial on x86_64 Intel Xeon Intel Ifort Suse Enterprise 9 S. Ling
R: [CP2K:1456] Re: Compiling cp2k serial on x86_64 Intel Xeon Intel Ifort Suse Enterprise 9 Axel
how to avoid repeated printout of step 0 with wannier centers Axel
[CP2K:1459] molecular dipoles of charged molecules Laino Teodoro
[CP2K:1462] how to avoid repeated printout of step 0 with wannier centers Laino Teodoro
[CP2K:1459] molecular dipoles of charged molecules Laino Teodoro
[CP2K:1462] how to avoid repeated printout of step 0 with wannier centers Laino Teodoro
molecular dipoles of charged molecules Axel
how to avoid repeated printout of step 0 with wannier centers Axel
[CP2K:1467] Re: molecular dipoles of charged molecules Laino Teodoro
molecular dipoles of charged molecules Axel
[CP2K:1470] Re: molecular dipoles of charged molecules Laino Teodoro
molecular dipoles of charged molecules Axel
[CP2K:1472] Re: molecular dipoles of charged molecules Laino Teodoro
molecular dipoles of charged molecules cavallo
Compiling cp2k serial on x86_64 Intel Xeon Intel Ifort Suse Enterprise 9 (PARALLEL) Roberto Scipioni
[CP2K:1475] Compiling cp2k serial on x86_64 Intel Xeon Intel Ifort Suse Enterprise 9 (PARALLEL) Laino Teodoro
Compiling cp2k serial on x86_64 Intel Xeon Intel Ifort Suse Enterprise 9 (PARALLEL) Axel
R: [CP2K:1476] Re: Compiling cp2k serial on x86_64 Intel Xeon Intel Ifort Suse Enterprise 9 (PARALLEL) Roberto Scipioni
R: SOLVED - Compiling cp2k serial on x86_64 Intel Xeon Intel Ifort Suse Enterprise 9 (PARALLEL) Roberto Scipioni
Prevent MM water diffusion into QM box. ilya
[CP2K:1480] Prevent MM water diffusion into QM box. Laino Teodoro
Defect distribution Si-jung
[CP2K:1482] Defect distribution Laino Teodoro
[CP2K:1483] Re: Defect distribution Younsuk Yun
[CP2K:1484] Re: Defect distribution Laino Teodoro
Prevent MM water diffusion into QM box. ilya
[CP2K:1486] Re: Prevent MM water diffusion into QM box. Laino Teodoro
MD on cp2k Marcella Iannuzzi
LOCALIZE - LOCALIZATION : restructuring Laino Teodoro
available units of measure Laino Teodoro
available units of measure Matthias
[CP2K:1491] Re: available units of measure Laino Teodoro
available units of measure Matthias
[CP2K:1493] Re: available units of measure Laino Teodoro
bulk water vs. DFTB Axel
PM6 for Ce Nguyen Ngoc Ha
[CP2K:1496] PM6 for Ce Teodoro Laino
[CP2K:1495] bulk water vs. DFTB Juerg Hutter
bulk water vs. DFTB Axel
bulk water vs. DFTB Johannes Frenzel
bulk water vs. DFTB Axel
[CP2K:1501] Re: bulk water vs. DFTB Laino Teodoro
How to use metadyn tools? Nguyen Ngoc Ha
[CP2K:1503] How to use metadyn tools? Laino Teodoro
How to use metadyn tools? Nguyen Ngoc Ha
bulk water vs. DFTB Axel
XAS input c.pignedoli
XAS input marci
[CP2K:1508] Re: XAS input carlo antonio pignedoli
[CP2K:1508] Re: XAS input carlo antonio pignedoli
XAS input marci
variable cell optimization Rad
[CP2K:1512] variable cell optimization Teodoro Laino
variable cell optimization Rad

Last message date: Thu Oct 30 20:07:32 UTC 2008
Archived on: Thu Mar 3 11:47:24 UTC 2022

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

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