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2022/05/24 06:45 gpu – HIP and OpenCL now supported by DBCSR hpabst +8 B
2022/05/20 20:35 howto:shifter – oschuett +1 B
2022/05/19 13:58 version_history – CP2K 10 now supports CDFT forces based on Hirshfeld partitioning cahart +103 B
2022/05/18 20:24 howto:cdft – Update for new CDFT forces based on Hirshfeld partitioning of the electron density (CP2K version 10 #2111) cahart +204 B
2022/05/09 14:56 dev:cp2k_dev_meeting_05_05_22.pdf – created rschade +1.3 MB
2022/05/09 14:56 dev:cp2k_dev_meeting_may_2022.pdf – removed rschade -1.3 MB
2022/05/09 14:54 dev:meetings – [Notes] rschade +84 B
2022/04/05 20:29 science – oschuett -15 B
2022/04/04 11:56 sac.png – created jglan +331.6 KB
2022/03/13 13:06 download – [From a Distribution] oschuett +71 B
2022/03/13 13:05 nixos_logo.png – created oschuett +20.7 KB
2022/03/13 12:02 acronyms – oschuett +164 B
2022/03/12 21:48 chem_sci_methanol.png – created jglan +1.7 MB
2022/03/09 13:17 faq:cuda_support – oschuett +35 B
2022/03/06 10:35 tools:gromacs – oschuett -17 B
2021/12/14 17:10 dev:cp2k_dev_meeting_08_12_21.pdf – rschade +77 B
2021/12/14 17:08 dev:cp2k_dev_meeting.pdf – removed rschade -876.1 KB
2021/11/28 04:08 docs:phd_thesis_patrick_seewald.pdf – created pseewald +3.3 MB
2021/11/28 04:08 docs_phd_thesis_patrick_seewald.pdf – removed pseewald -3.3 MB
2021/11/28 04:03 phd_thesis_patrick_seewald.pdf – removed pseewald -3.3 MB

CP2K Open Source Molecular Dynamics