gmx2024.2 to 2024.3

plumed · Sep 18, 2024 · 5b31d29 · 5b31d29 · PlumedBot · Sep 18, 2024
1 parent 9144f57
commit 5b31d29
Show file tree

Hide file tree

Showing 31 changed files with 0 additions and 0 deletions.
diff --git a/patches/gromacs-2024.2.config → patches/gromacs-2024.3.config b/patches/gromacs-2024.2.config → patches/gromacs-2024.3.config
diff --git a/...cs-2024.2.diff/src/gromacs/CMakeLists.txt → ...cs-2024.3.diff/src/gromacs/CMakeLists.txt b/...cs-2024.2.diff/src/gromacs/CMakeLists.txt → ...cs-2024.3.diff/src/gromacs/CMakeLists.txt
diff --git a/...diff/src/gromacs/CMakeLists.txt.preplumed → ...diff/src/gromacs/CMakeLists.txt.preplumed b/...diff/src/gromacs/CMakeLists.txt.preplumed → ...diff/src/gromacs/CMakeLists.txt.preplumed
diff --git a/...024.2.diff/src/gromacs/mdlib/expanded.cpp → ...024.3.diff/src/gromacs/mdlib/expanded.cpp b/...024.2.diff/src/gromacs/mdlib/expanded.cpp → ...024.3.diff/src/gromacs/mdlib/expanded.cpp
diff --git a/.../src/gromacs/mdlib/expanded.cpp.preplumed → .../src/gromacs/mdlib/expanded.cpp.preplumed b/.../src/gromacs/mdlib/expanded.cpp.preplumed → .../src/gromacs/mdlib/expanded.cpp.preplumed
diff --git a/...-2024.2.diff/src/gromacs/mdlib/expanded.h → ...-2024.3.diff/src/gromacs/mdlib/expanded.h b/...-2024.2.diff/src/gromacs/mdlib/expanded.h → ...-2024.3.diff/src/gromacs/mdlib/expanded.h
diff --git a/...ff/src/gromacs/mdlib/expanded.h.preplumed → ...ff/src/gromacs/mdlib/expanded.h.preplumed b/...ff/src/gromacs/mdlib/expanded.h.preplumed → ...ff/src/gromacs/mdlib/expanded.h.preplumed
diff --git a/...024.2.diff/src/gromacs/mdlib/sim_util.cpp → ...024.3.diff/src/gromacs/mdlib/sim_util.cpp b/...024.2.diff/src/gromacs/mdlib/sim_util.cpp → ...024.3.diff/src/gromacs/mdlib/sim_util.cpp
diff --git a/.../src/gromacs/mdlib/sim_util.cpp.preplumed → .../src/gromacs/mdlib/sim_util.cpp.preplumed b/.../src/gromacs/mdlib/sim_util.cpp.preplumed → .../src/gromacs/mdlib/sim_util.cpp.preplumed
diff --git a/.../src/gromacs/mdrun/legacymdrunoptions.cpp → .../src/gromacs/mdrun/legacymdrunoptions.cpp b/.../src/gromacs/mdrun/legacymdrunoptions.cpp → .../src/gromacs/mdrun/legacymdrunoptions.cpp
diff --git a/...cs/mdrun/legacymdrunoptions.cpp.preplumed → ...cs/mdrun/legacymdrunoptions.cpp.preplumed b/...cs/mdrun/legacymdrunoptions.cpp.preplumed → ...cs/mdrun/legacymdrunoptions.cpp.preplumed
diff --git a/...ff/src/gromacs/mdrun/legacymdrunoptions.h → ...ff/src/gromacs/mdrun/legacymdrunoptions.h b/...ff/src/gromacs/mdrun/legacymdrunoptions.h → ...ff/src/gromacs/mdrun/legacymdrunoptions.h
diff --git a/...macs/mdrun/legacymdrunoptions.h.preplumed → ...macs/mdrun/legacymdrunoptions.h.preplumed b/...macs/mdrun/legacymdrunoptions.h.preplumed → ...macs/mdrun/legacymdrunoptions.h.preplumed
diff --git a/...macs-2024.2.diff/src/gromacs/mdrun/md.cpp → ...macs-2024.3.diff/src/gromacs/mdrun/md.cpp b/...macs-2024.2.diff/src/gromacs/mdrun/md.cpp → ...macs-2024.3.diff/src/gromacs/mdrun/md.cpp
diff --git a/...2.diff/src/gromacs/mdrun/md.cpp.preplumed → ...3.diff/src/gromacs/mdrun/md.cpp.preplumed b/...2.diff/src/gromacs/mdrun/md.cpp.preplumed → ...3.diff/src/gromacs/mdrun/md.cpp.preplumed
diff --git a/...024.2.diff/src/gromacs/mdrun/minimize.cpp → ...024.3.diff/src/gromacs/mdrun/minimize.cpp b/...024.2.diff/src/gromacs/mdrun/minimize.cpp → ...024.3.diff/src/gromacs/mdrun/minimize.cpp
diff --git a/.../src/gromacs/mdrun/minimize.cpp.preplumed → .../src/gromacs/mdrun/minimize.cpp.preplumed b/.../src/gromacs/mdrun/minimize.cpp.preplumed → .../src/gromacs/mdrun/minimize.cpp.preplumed
diff --git a/...iff/src/gromacs/mdrun/replicaexchange.cpp → ...iff/src/gromacs/mdrun/replicaexchange.cpp b/...iff/src/gromacs/mdrun/replicaexchange.cpp → ...iff/src/gromacs/mdrun/replicaexchange.cpp
diff --git a/...omacs/mdrun/replicaexchange.cpp.preplumed → ...omacs/mdrun/replicaexchange.cpp.preplumed b/...omacs/mdrun/replicaexchange.cpp.preplumed → ...omacs/mdrun/replicaexchange.cpp.preplumed
diff --git a/....diff/src/gromacs/mdrun/replicaexchange.h → ....diff/src/gromacs/mdrun/replicaexchange.h b/....diff/src/gromacs/mdrun/replicaexchange.h → ....diff/src/gromacs/mdrun/replicaexchange.h
diff --git a/...gromacs/mdrun/replicaexchange.h.preplumed → ...gromacs/mdrun/replicaexchange.h.preplumed b/...gromacs/mdrun/replicaexchange.h.preplumed → ...gromacs/mdrun/replicaexchange.h.preplumed
diff --git a/...s-2024.2.diff/src/gromacs/mdrun/rerun.cpp → ...s-2024.3.diff/src/gromacs/mdrun/rerun.cpp b/...s-2024.2.diff/src/gromacs/mdrun/rerun.cpp → ...s-2024.3.diff/src/gromacs/mdrun/rerun.cpp
diff --git a/...iff/src/gromacs/mdrun/rerun.cpp.preplumed → ...iff/src/gromacs/mdrun/rerun.cpp.preplumed b/...iff/src/gromacs/mdrun/rerun.cpp.preplumed → ...iff/src/gromacs/mdrun/rerun.cpp.preplumed
diff --git a/...-2024.2.diff/src/gromacs/mdrun/runner.cpp → ...-2024.3.diff/src/gromacs/mdrun/runner.cpp b/...-2024.2.diff/src/gromacs/mdrun/runner.cpp → ...-2024.3.diff/src/gromacs/mdrun/runner.cpp
diff --git a/...ff/src/gromacs/mdrun/runner.cpp.preplumed → ...ff/src/gromacs/mdrun/runner.cpp.preplumed b/...ff/src/gromacs/mdrun/runner.cpp.preplumed → ...ff/src/gromacs/mdrun/runner.cpp.preplumed
diff --git a/...ularsimulator/expandedensembleelement.cpp → ...ularsimulator/expandedensembleelement.cpp b/...ularsimulator/expandedensembleelement.cpp → ...ularsimulator/expandedensembleelement.cpp
diff --git a/...tor/expandedensembleelement.cpp.preplumed → ...tor/expandedensembleelement.cpp.preplumed b/...tor/expandedensembleelement.cpp.preplumed → ...tor/expandedensembleelement.cpp.preplumed
diff --git a/...gromacs/taskassignment/decidegpuusage.cpp → ...gromacs/taskassignment/decidegpuusage.cpp b/...gromacs/taskassignment/decidegpuusage.cpp → ...gromacs/taskassignment/decidegpuusage.cpp
diff --git a/...skassignment/decidegpuusage.cpp.preplumed → ...skassignment/decidegpuusage.cpp.preplumed b/...skassignment/decidegpuusage.cpp.preplumed → ...skassignment/decidegpuusage.cpp.preplumed
diff --git a/...e/gromacs/taskassignment/decidegpuusage.h → ...e/gromacs/taskassignment/decidegpuusage.h b/...e/gromacs/taskassignment/decidegpuusage.h → ...e/gromacs/taskassignment/decidegpuusage.h
diff --git a/...taskassignment/decidegpuusage.h.preplumed → ...taskassignment/decidegpuusage.h.preplumed b/...taskassignment/decidegpuusage.h.preplumed → ...taskassignment/decidegpuusage.h.preplumed