Searched refs:tng_trajectory_t (Results 1 – 13 of 13) sorted by relevance
/dports/science/gromacs/gromacs-2021.4/src/external/tng_io/include/tng/ |
H A D | tng_io.h | 612 (const tng_trajectory_t tng_data, 624 (const tng_trajectory_t tng_data, 636 (const tng_trajectory_t tng_data, 652 (const tng_trajectory_t tng_data, 665 (tng_trajectory_t *tng_data_p); 675 (tng_trajectory_t *tng_data_p); 693 (const tng_trajectory_t src, tng_trajectory_t *dest_p); 710 (const tng_trajectory_t tng_data, 725 (const tng_trajectory_t tng_data, 743 (const tng_trajectory_t tng_data, [all …]
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H A D | tng_io_fwd.h | 16 typedef struct tng_trajectory *tng_trajectory_t; typedef
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H A D | tng_io.hpp | 29 tng_trajectory_t traj;
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/dports/science/gromacs/gromacs-2021.4/src/external/tng_io/src/lib/ |
H A D | tng_io_fortran.c | 231 (tng_trajectory_t tng_data, in tng_last_signature_set_() 253 (tng_trajectory_t tng_data, in tng_forcefield_name_set_() 275 (tng_trajectory_t tng_data, in tng_medium_stride_length_set_() 289 (tng_trajectory_t tng_data, in tng_long_stride_length_set_() 303 (tng_trajectory_t tng_data, in tng_time_per_frame_set_() 373 (tng_trajectory_t tng_data, in tng_current_frame_set_get_() 386 (tng_trajectory_t tng_data, in tng_frame_set_of_frame_find_() 676 (tng_trajectory_t tng_data, in tng_particle_mapping_add_() 692 (tng_trajectory_t tng_data, in tng_file_headers_write_() 699 (tng_trajectory_t tng_data, in tng_block_read_next_() [all …]
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H A D | tng_io.c | 688 (const tng_trajectory_t tng_data, in tng_file_input_numerical() 743 (const tng_trajectory_t tng_data, in tng_file_output_numerical() 1642 (const tng_trajectory_t tng_data, in tng_reread_frame_set_at_file_pos() 3545 (tng_trajectory_t tng_data, in tng_frame_set_block_read() 8725 tng_trajectory_t tng_data; in tng_trajectory_init() 8893 tng_trajectory_t tng_data = *tng_data_p; in tng_trajectory_destroy() 9243 (const tng_trajectory_t src, in tng_trajectory_init_from_src() 9244 tng_trajectory_t *dest_p) in tng_trajectory_init_from_src() 9247 tng_trajectory_t dest; in tng_trajectory_init_from_src() 15201 tng_trajectory_t *tng_data_p) in tng_util_trajectory_open() [all …]
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/dports/science/gromacs/gromacs-2021.4/src/gromacs/fileio/ |
H A D | tngio.cpp | 70 using tng_trajectory_t = void*; typedef 204 tng_trajectory_t* tng = &(*gmx_tng)->tng; in gmx_tng_close() 225 tng_trajectory_t tng = gmx_tng->tng; in addTngMoleculeFromTopology() 285 tng_trajectory_t tng = gmx_tng->tng; in gmx_tng_add_mtop() 396 tng_trajectory_t tng = gmx_tng->tng; in tng_set_frames_per_frame_set() 425 tng_trajectory_t tng = gmx_tng->tng; in set_writing_intervals() 592 tng_trajectory_t tng = gmx_tng->tng; in add_selection_groups() 790 tng_trajectory_t tng = gmx_tng->tng; in gmx_fwrite_tng() 941 tng_trajectory_t tng = gmx_tng->tng; in gmx_tng_get_time_of_final_frame() 1212 tng_trajectory_t tng = gmx_tng->tng; in gmx_tng_setup_atom_subgroup() [all …]
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/dports/science/gromacs/gromacs-2021.4/src/external/tng_io/src/tests/ |
H A D | tng_io_testing.c | 36 static tng_function_status tng_test_setup_molecules(tng_trajectory_t traj) in tng_test_setup_molecules() 132 static tng_function_status tng_test_molecules(tng_trajectory_t traj) in tng_test_molecules() 397 (tng_trajectory_t traj, const char hash_mode) in tng_test_read_and_write_file() 451 static tng_function_status tng_test_write_and_read_traj(tng_trajectory_t *traj, in tng_test_write_and_read_traj() 1005 tng_function_status tng_test_get_box_data(tng_trajectory_t traj) in tng_test_get_box_data() 1033 tng_function_status tng_test_get_positions_data(tng_trajectory_t traj, in tng_test_get_positions_data() 1122 tng_function_status tng_test_utility_functions(tng_trajectory_t traj, const char hash_mode) in tng_test_utility_functions() 1233 tng_function_status tng_test_append(tng_trajectory_t traj, const char hash_mode) in tng_test_append() 1327 tng_function_status tng_test_copy_container(tng_trajectory_t traj, const char hash_mode) in tng_test_copy_container() 1329 tng_trajectory_t dest; in tng_test_copy_container() [all …]
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H A D | tng_io_read_pos_util.c | 25 tng_trajectory_t traj; in main()
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H A D | tng_io_read_pos.c | 23 tng_trajectory_t traj; in main()
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H A D | tng_parallel_read.c | 27 tng_trajectory_t traj, local_traj = 0; in main()
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H A D | md_openmp_util.c | 87 tng_trajectory_t traj; in main()
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H A D | md_openmp.c | 87 tng_trajectory_t traj; in main()
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/dports/science/gromacs/gromacs-2021.4/src/external/tng_io/src/tests/using/ |
H A D | use_tng.c | 5 tng_trajectory_t data; in test_tng()
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