Searched refs:pcmsolver_new (Results 1 – 10 of 10) sorted by relevance
/dports/science/pcmsolver/pcmsolver-1.3.0/tests/C_host/ |
H A D | fail-C_host.c | 75 pcmsolver_context_t * pcm_context = pcmsolver_new(PCMSOLVER_READER_HOST, in main()
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H A D | C_host.c | 74 pcmsolver_context_t * pcm_context = pcmsolver_new(PCMSOLVER_READER_HOST, in main()
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/dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/DALTON/pcm/ |
H A D | pcm_config.F90 | 98 …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…
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/dports/science/pcmsolver/pcmsolver-1.3.0/api/ |
H A D | pcmsolver.h | 97 PCMSolver_API pcmsolver_context_t * pcmsolver_new(pcmsolver_reader_t input_reading,
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H A D | pcmsolver.f90 | 59 function pcmsolver_new(input_reading, nr_nuclei, charges, coordinates, symmetry_info, &
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/dports/science/pcmsolver/pcmsolver-1.3.0/doc/users/ |
H A D | interfacing.rst | 29 symmetry information to the :cpp:func:`pcmsolver_new` function.
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/dports/science/pcmsolver/pcmsolver-1.3.0/tests/Fortran_host/ |
H A D | Fortran_host.f90 | 97 pcm_context = pcmsolver_new(PCMSOLVER_READER_HOST, &
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/dports/science/madness/madness-ebb3fd7/src/apps/chem/ |
H A D | pcm.cc | 156 pcmsolver_new(pcmsolver_reader, natom, charges.ptr(), coordinates.ptr(), in PCM()
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/dports/science/pcmsolver/pcmsolver-1.3.0/ |
H A D | CHANGELOG.md | 217 - An updated version of the `pcmsolver_new` API function has been introduced. 457 a function pointer to the `pcmsolver_new` function during library
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/dports/science/pcmsolver/pcmsolver-1.3.0/src/interface/ |
H A D | Meddle.cpp | 62 pcmsolver_context_t * pcmsolver_new(pcmsolver_reader_t input_reading, in pcmsolver_new() function
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