TNG API
1.7.8
A flexible binary trajectory format
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Macros | |
#define | TNG_TRAJ_BOX_SHAPE 0x0000000010000000LL |
#define | TNG_TRAJ_PARTIAL_CHARGES 0x0000000010000004LL |
#define | TNG_TRAJ_B_FACTORS 0x0000000010000006LL |
#define | TNG_TRAJ_ANISOTROPIC_B_FACTORS 0x0000000010000007LL |
#define | TNG_TRAJ_GENERAL_COMMENTS 0x0000000010000009LL |
Block IDs of standard trajectory blocks. Box shape and partial charges can be either trajectory blocks or non-trajectory blocks
#define TNG_TRAJ_ANISOTROPIC_B_FACTORS 0x0000000010000007LL |
#define TNG_TRAJ_B_FACTORS 0x0000000010000006LL |
#define TNG_TRAJ_BOX_SHAPE 0x0000000010000000LL |
#define TNG_TRAJ_GENERAL_COMMENTS 0x0000000010000009LL |
#define TNG_TRAJ_PARTIAL_CHARGES 0x0000000010000004LL |