- 30 Mar, 2021 1 commit
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Alan O'Cais authored
Update Meso-Multi-Scale-Modelling-Modules/modules/Lattice_Boltzmann/external_chemical_potential_gradient/readme.rst, Meso-Multi-Scale-Modelling-Modules/modules/Lattice_Boltzmann/crystalline_capillaries/readme.rst files Deleted .gitignore
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- 15 Mar, 2021 2 commits
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Alan O'Cais authored
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Jurij Sablic authored
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- 12 Mar, 2021 6 commits
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Alan O'Cais authored
Add EESSI and general vGPU support to Magic Castle See merge request e-cam/E-CAM-Library!303
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Alan O'Cais authored
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Alan O'Cais authored
Add EESSI singularity module See merge request e-cam/E-CAM-Library!302
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Alan O'Cais authored
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Jony Castagna authored
Module_Quantics_DD_MPIOMP See merge request e-cam/E-CAM-Library!162
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Alan O'Cais authored
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- 11 Mar, 2021 17 commits
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Alan O'Cais authored
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Alan O'Cais authored
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Alan O'Cais authored
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Alan O'Cais authored
Update Classical-MD-Modules/index.rst,... See merge request e-cam/E-CAM-Library!301
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Alan O'Cais authored
Update Classical-MD-Modules/index.rst, Classical-MD-Modules/modules/n2p2/n2p2_training_size/readme.rst files
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Alan O'Cais authored
Module: n2p2: Tools For Training Set Size Dependence See merge request e-cam/E-CAM-Library!136
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Alan O'Cais authored
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Alan O'Cais authored
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Alan O'Cais authored
Module: Python bindings for running PIGS in OpenMM See merge request e-cam/E-CAM-Library!133
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Alan O'Cais authored
Module: n2p2: Symmetry Function Parameter Generator See merge request e-cam/E-CAM-Library!137
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Alan O'Cais authored
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Andreas Singraber authored
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Andreas Singraber authored
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ssh://gitlab.e-cam2020.eu:10022/e-cam/E-CAM-LibraryAndreas Singraber authored
Merge branch 'master' of ssh://gitlab.e-cam2020.eu:10022/e-cam/E-CAM-Library into n2p2_symfunc_param_generator
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Andreas Singraber authored
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Andreas Singraber authored
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ssh://gitlab.e-cam2020.eu:10022/e-cam/E-CAM-LibraryAndreas Singraber authored
Merge branch 'master' of ssh://gitlab.e-cam2020.eu:10022/e-cam/E-CAM-Library into n2p2_training_size
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- 08 Mar, 2021 7 commits
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Alan O'Cais authored
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Alan O'Cais authored
Add a module for the integration of PSolver in SIESTA and Octopus See merge request e-cam/E-CAM-Library!268
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Alan O'Cais authored
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Alan O'Cais authored
Add a module about the integration of Libxc in FHI-AiMS See merge request e-cam/E-CAM-Library!269
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Alan O'Cais authored
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Alan O'Cais authored
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Alan O'Cais authored
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- 05 Mar, 2021 6 commits
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Alan O'Cais authored
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Alan O'Cais authored
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Alan O'Cais authored
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Alan O'Cais authored
update docs to represent that springshooting has been merged in OPS core See merge request e-cam/E-CAM-Library!300
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Alan O'Cais authored
Updated source code for gen_moldipaf.f90 (previously missed this!) See merge request e-cam/E-CAM-Library!299
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- 02 Mar, 2021 1 commit
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Michael Seaton authored
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