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authorMagnus Lundborg <lundborg.magnus@gmail.com>2013-02-08 16:15:54 (GMT)
committerMagnus Lundborg <lundborg.magnus@gmail.com>2013-02-08 16:15:54 (GMT)
commite753a0776bd1496d05e8d191a957e0b2eeb7f019 (patch)
tree8ebd1ee6e3a86904f62e910f8f1802639ee047f1 /src/lib/tng_io.h
parentc5020baa6a27af8288d79f02f9ea646ae580710a (diff)
Add a standard block ID for partial charges.
Diffstat (limited to 'src/lib/tng_io.h')
-rw-r--r--src/lib/tng_io.h7
1 files changed, 4 insertions, 3 deletions
diff --git a/src/lib/tng_io.h b/src/lib/tng_io.h
index 9fa13b2..031ca65 100644
--- a/src/lib/tng_io.h
+++ b/src/lib/tng_io.h
@@ -287,12 +287,13 @@ typedef enum {TNG_GENERAL_INFO,
TNG_TRAJECTORY_FRAME_SET,
TNG_PARTICLE_MAPPING} tng_non_trajectory_block_ids;
-/** Block IDs of standard trajectory blocks. Box shape can be either a
- * trajectory block or a non-trajectory block */
+/** Block IDs of standard trajectory blocks. Box shape and partial charges can
+ * be either trajectory blocks or non-trajectory blocks */
typedef enum {TNG_TRAJ_BOX_SHAPE = 10000,
TNG_TRAJ_POSITIONS,
TNG_TRAJ_VELOCITIES,
- TNG_TRAJ_FORCES} tng_trajectory_block_ids;
+ TNG_TRAJ_FORCES,
+ TNG_TRAJ_PARTIAL_CHARGES} tng_trajectory_block_ids;
/** Flag to specify if a data block contains data related to particles or not.*/
typedef enum {TNG_NON_PARTICLE_BLOCK_DATA,
contact: Jan Huwald // Impressum