Commit 6197df5c authored by Berk Onat's avatar Berk Onat

Adding more missing meta info for Gromos parser.

parent 2707679c
......@@ -2300,6 +2300,15 @@
"superNames": [
"section_frame_sequence"
]
}, {
"description": "Gives the number of covalent_energies in this sequence of frames, see x_gromos_frame_sequence_covalent_energy.",
"dtypeStr": "i",
"kindStr": "type_dimension",
"name": "x_gromos_number_of_covalent_energies_in_sequence",
"shape": [],
"superNames": [
"section_frame_sequence"
]
}, {
"description": "Gives the number of misc_energies in this sequence of frames, see x_gromos_frame_sequence_misc_energy.",
"dtypeStr": "i",
......@@ -2559,6 +2568,26 @@
"superNames": [
"section_frame_sequence"
]
}, {
"description": "Array containing the strictly increasing indices of the frames the x_gromos_frame_sequence_covalent_energy values refers to. If not given it defaults to the trivial mapping 0,1,...",
"dtypeStr": "i",
"name": "x_gromos_frame_sequence_covalent_energy_frames",
"shape": [
"x_gromos_number_of_covalent_energies_in_sequence"
],
"superNames": [
"section_frame_sequence"
]
}, {
"description": "Array containing the values of the covalent_energy along this sequence of frames (i.e., a trajectory, a frame is one section_single_configuration_calculation). If not all frames have a value the indices of the frames that have a value are stored in frame_sequence_covalent_energy_frames.",
"dtypeStr": "f",
"name": "x_gromos_frame_sequence_covalent_energy_frames",
"shape": [
"x_gromos_number_of_covalent_energies_in_sequence"
],
"superNames": [
"section_frame_sequence"
]
}, {
"description": "Array containing the values of the misc_energy along this sequence of frames (i.e., a trajectory, a frame is one section_single_configuration_calculation). If not all frames have a value the indices of the frames that have a value are stored in frame_sequence_misc_energy_frames.",
"dtypeStr": "f",
......
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