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Searched refs:pcmsolver_new (Results 1 – 10 of 10) sorted by relevance

/dports/science/pcmsolver/pcmsolver-1.3.0/tests/C_host/
H A Dfail-C_host.c75 pcmsolver_context_t * pcm_context = pcmsolver_new(PCMSOLVER_READER_HOST, in main()
H A DC_host.c74 pcmsolver_context_t * pcm_context = pcmsolver_new(PCMSOLVER_READER_HOST, in main()
/dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/DALTON/pcm/
H A Dpcm_config.F9098 …context_ = pcmsolver_new(PCMSOLVER_READER_HOST, nr_nuclei, charges, centers, symmetry_info, host_i…
100 …context_ = pcmsolver_new(PCMSOLVER_READER_OWN, nr_nuclei, charges, centers, symmetry_info, host_in…
/dports/science/pcmsolver/pcmsolver-1.3.0/api/
H A Dpcmsolver.h97 PCMSolver_API pcmsolver_context_t * pcmsolver_new(pcmsolver_reader_t input_reading,
H A Dpcmsolver.f9059 function pcmsolver_new(input_reading, nr_nuclei, charges, coordinates, symmetry_info, &
/dports/science/pcmsolver/pcmsolver-1.3.0/doc/users/
H A Dinterfacing.rst29 symmetry information to the :cpp:func:`pcmsolver_new` function.
/dports/science/pcmsolver/pcmsolver-1.3.0/tests/Fortran_host/
H A DFortran_host.f9097 pcm_context = pcmsolver_new(PCMSOLVER_READER_HOST, &
/dports/science/madness/madness-ebb3fd7/src/apps/chem/
H A Dpcm.cc156 pcmsolver_new(pcmsolver_reader, natom, charges.ptr(), coordinates.ptr(), in PCM()
/dports/science/pcmsolver/pcmsolver-1.3.0/
H A DCHANGELOG.md217 - An updated version of the `pcmsolver_new` API function has been introduced.
457 a function pointer to the `pcmsolver_new` function during library
/dports/science/pcmsolver/pcmsolver-1.3.0/src/interface/
H A DMeddle.cpp62 pcmsolver_context_t * pcmsolver_new(pcmsolver_reader_t input_reading, in pcmsolver_new() function