- 18 Mar, 2021 10 commits
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Federica Agostini authored
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Federica Agostini authored
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Federica Agostini authored
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Federica Agostini authored
Merge branch 'master' into CT-MQC_ecam
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Federica Agostini authored
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Federica Agostini authored
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Federica Agostini authored
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Federica Agostini authored
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Federica Agostini authored
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Federica Agostini authored
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- 17 Mar, 2021 7 commits
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Alan O'Cais authored
Module: VV2 using Kokkos on DL_MESO (DPD) See merge request !265
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Alan O'Cais authored
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Alan O'Cais authored
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Jony Castagna authored
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Jony Castagna authored
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Alan O'Cais authored
Add EESSI CI module for GitHub Actions See merge request e-cam/E-CAM-Library!305
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Alan O'Cais authored
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- 12 Mar, 2021 7 commits
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Federica Agostini authored
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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 16 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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