Add hdf_archive dataset append feature

QMCPACK / qmcpack

Main repository for QMCPACK, an open-source production level many-body ab initio Quantum Monte Carlo code for computing the electronic structure of atoms, molecules, and solids with full performance portable GPU support

http://www.qmcpack.org

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Add hdf_archive dataset append feature #5038

Open ye-luo opened 3 months ago

ye-luo commented 3 months ago

Then we can get rid of direct calls

../src/QMCDrivers/WalkerLogBuffer.h:      h5d_append(f.top(), "data", file_pointer, buffer.dim(), dims, buffer.data());
../src/QMCHamiltonians/ObservableHelper.h:  /// "file pointer" for h5d_append
../src/QMCHamiltonians/ObservableHelper.cpp:    h5d_append(file.top(), "value", current, rank, mydims.data(), first_v + lower_bound);
../src/Estimators/TraceManager.h:      h5d_append(f.top(), "traces", file_pointer, buffer.dim(), dims, buffer.data());