December 2025 Archives by thread

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Starting: Mon Dec 1 09:10:09 UTC 2025
Ending: Tue Dec 30 16:43:29 UTC 2025
Messages: 24

• [CP2K-user] [CP2K:21992] Questions on small differences in density matrices and Mulliken populations from CP2K single-point calculation   Krack, Matthias
• [CP2K-user] [CP2K:21994] CECAM+Psi-k School "Hybrid Quantum Mechanics / Molecular Mechanics (QM/MM) Approaches to Biochemistry and Beyond", Lausanne, March 23rd to 27th, 2026   Ari Paavo Seitsonen (apsi)
• [CP2K-user] [CP2K:21994] SIGSEGV, segmentation fault   Masuma Suleymanova
• [CP2K-user] [CP2K:21995] Transition Density from TDDFT   oandr... at gmail.com
  • [CP2K-user] [CP2K:21995] Transition Density from TDDFT   Jürg Hutter
• [CP2K-user] [CP2K:21996] Minima hopping issue   Ho Chang Song
• [CP2K-user] [CP2K:21997] Tabulated external force potential   Ioachim Dusa
  • [CP2K-user] [CP2K:21999] Re: Tabulated external force potential   Ole Schütt
    • [CP2K-user] [CP2K:21999] Re: Tabulated external force potential   Ioachim Dusa
      • [CP2K-user] [CP2K:22001] Re: Tabulated external force potential   Johann Pototschnig
• [CP2K-user] [CP2K:22001] Help Required For Simulating Simple H20 Molecule Using Quickstep.   Satchith PS
  • [CP2K-user] [CP2K:22003] Re: Help Required For Simulating Simple H20 Molecule Using Quickstep.   Frederick Stein
• [CP2K-user] [CP2K:22004] Geometric optimization -> Single point energy calc: Changing basis and reading in coordinates   Andreas Döll
  • [CP2K-user] [CP2K:22005] Re: Geometric optimization -> Single point energy calc: Changing basis and reading in coordinates   Frederick Stein
• [CP2K-user] [CP2K:22006] Wavelet Poisson solver - Huge change in total energy when increasing the plane-wave cut-off energy from 1200 to 1260 Ry   Torstein Fjermestad
  • [CP2K-user] [CP2K:22008] Re: Wavelet Poisson solver - Huge change in total energy when increasing the plane-wave cut-off energy from 1200 to 1260 Ry   Frederick Stein
    • [CP2K-user] [CP2K:22012] Re: Wavelet Poisson solver - Huge change in total energy when increasing the plane-wave cut-off energy from 1200 to 1260 Ry   Torstein Fjermestad
      • [CP2K-user] [CP2K:22012] Re: Wavelet Poisson solver - Huge change in total energy when increasing the plane-wave cut-off energy from 1200 to 1260 Ry   Jürg Hutter
• [CP2K-user] [CP2K:22007] No more Makefile to compile after building the toolchain?   Reuti Reuti
  • [CP2K-user] [CP2K:22009] Re: No more Makefile to compile after building the toolchain?   Reuti Reuti
• [CP2K-user] [CP2K:22009] How to set walls for coordination or restrict molecule motion   zc_belief
• [CP2K-user] [CP2K:22010] Cp2k installation advice   Michele Loriso
• [CP2K-user] [CP2K:22013] Re: How to correctly set the function in EXTERNAL_POTENTIAL?   sedate
• [CP2K-user] [CP2K:22015] Issue with EPS_DEFAULT Sensitivity: Why Does 1.0E-12 Cause CPASSERT Failure?   yis... at 163.com

Last message date: Tue Dec 30 16:43:29 UTC 2025
Archived on: Tue Dec 30 16:43:36 UTC 2025

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