Home
last modified time | relevance | path

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 Dtng_io.h612 (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 …]
H A Dtng_io_fwd.h16 typedef struct tng_trajectory *tng_trajectory_t; typedef
H A Dtng_io.hpp29 tng_trajectory_t traj;
/dports/science/gromacs/gromacs-2021.4/src/external/tng_io/src/lib/
H A Dtng_io_fortran.c231 (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 …]
H A Dtng_io.c688 (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 …]
/dports/science/gromacs/gromacs-2021.4/src/gromacs/fileio/
H A Dtngio.cpp70 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 …]
/dports/science/gromacs/gromacs-2021.4/src/external/tng_io/src/tests/
H A Dtng_io_testing.c36 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 …]
H A Dtng_io_read_pos_util.c25 tng_trajectory_t traj; in main()
H A Dtng_io_read_pos.c23 tng_trajectory_t traj; in main()
H A Dtng_parallel_read.c27 tng_trajectory_t traj, local_traj = 0; in main()
H A Dmd_openmp_util.c87 tng_trajectory_t traj; in main()
H A Dmd_openmp.c87 tng_trajectory_t traj; in main()
/dports/science/gromacs/gromacs-2021.4/src/external/tng_io/src/tests/using/
H A Duse_tng.c5 tng_trajectory_t data; in test_tng()