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| author | Magnus Lundborg <lundborg.magnus@gmail.com> | 2013-10-28 20:30:18 (GMT) |
|---|---|---|
| committer | Magnus Lundborg <lundborg.magnus@gmail.com> | 2013-10-28 20:30:18 (GMT) |
| commit | 4fc6d67feb4f178dec68b4fbba0f21944cbb4150 (patch) | |
| tree | 022d0f6cfba6cc4ee05a8f70cf2eb1c789278e63 /include | |
| parent | 138af1c6927df90bd42f0295bceac19f9f3c8975 (diff) | |
Added data block IDs for GMX energy data types.
Diffstat (limited to 'include')
| -rw-r--r-- | include/tng_io.h | 41 |
1 files changed, 41 insertions, 0 deletions
diff --git a/include/tng_io.h b/include/tng_io.h index 5b43597..e9f2ec5 100644 --- a/include/tng_io.h +++ b/include/tng_io.h @@ -405,6 +405,47 @@ typedef enum {TNG_NON_TRAJECTORY_BLOCK, TNG_TRAJECTORY_BLOCK} tng_block_type; * @{ */ #define TNG_GMX_LAMBDA 0x1000000010000000LL +#define TNG_GMX_ENERGY_ANGLE 0x1000000010000001LL +#define TNG_GMX_ENERGY_RYCKAERT_BELL 0x1000000010000002LL +#define TNG_GMX_ENERGY_LJ_14 0x1000000010000003LL +#define TNG_GMX_ENERGY_COULOMB_14 0x1000000010000004LL +#define TNG_GMX_ENERGY_LJ_(SR) 0x1000000010000005LL +#define TNG_GMX_ENERGY_COULOMB_(SR) 0x1000000010000006LL +#define TNG_GMX_ENERGY_COUL_RECIP 0x1000000010000007LL +#define TNG_GMX_ENERGY_POTENTIAL 0x1000000010000008LL +#define TNG_GMX_ENERGY_KINETIC_EN 0x1000000010000009LL +#define TNG_GMX_ENERGY_TOTAL_ENERGY 0x1000000010000010LL +#define TNG_GMX_ENERGY_TEMPERATURE 0x1000000010000011LL +#define TNG_GMX_ENERGY_PRESSURE 0x1000000010000012LL +#define TNG_GMX_ENERGY_CONSTR_RMSD 0x1000000010000013LL +#define TNG_GMX_ENERGY_BOX_X 0x1000000010000014LL +#define TNG_GMX_ENERGY_BOX_Y 0x1000000010000015LL +#define TNG_GMX_ENERGY_BOX_Z 0x1000000010000016LL +#define TNG_GMX_ENERGY_VOLUME 0x1000000010000017LL +#define TNG_GMX_ENERGY_DENSITY 0x1000000010000018LL +#define TNG_GMX_ENERGY_PV 0x1000000010000019LL +#define TNG_GMX_ENERGY_ENTHALPY 0x1000000010000020LL +#define TNG_GMX_ENERGY_VIR_XX 0x1000000010000021LL +#define TNG_GMX_ENERGY_VIR_XY 0x1000000010000022LL +#define TNG_GMX_ENERGY_VIR_XZ 0x1000000010000023LL +#define TNG_GMX_ENERGY_VIR_YX 0x1000000010000024LL +#define TNG_GMX_ENERGY_VIR_YY 0x1000000010000025LL +#define TNG_GMX_ENERGY_VIR_YZ 0x1000000010000026LL +#define TNG_GMX_ENERGY_VIR_ZX 0x1000000010000027LL +#define TNG_GMX_ENERGY_VIR_ZY 0x1000000010000028LL +#define TNG_GMX_ENERGY_VIR_ZZ 0x1000000010000029LL +#define TNG_GMX_ENERGY_PRES_XX 0x1000000010000030LL +#define TNG_GMX_ENERGY_PRES_XY 0x1000000010000031LL +#define TNG_GMX_ENERGY_PRES_XZ 0x1000000010000032LL +#define TNG_GMX_ENERGY_PRES_YX 0x1000000010000033LL +#define TNG_GMX_ENERGY_PRES_YY 0x1000000010000034LL +#define TNG_GMX_ENERGY_PRES_YZ 0x1000000010000035LL +#define TNG_GMX_ENERGY_PRES_ZX 0x1000000010000036LL +#define TNG_GMX_ENERGY_PRES_ZY 0x1000000010000037LL +#define TNG_GMX_ENERGY_PRES_ZZ 0x1000000010000038LL +#define TNG_GMX_ENERGY_SURFXSURFTEN 0x1000000010000039LL +#define TNG_GMX_ENERGY_T_SYSTEM 0x1000000010000040LL +#define TNG_GMX_ENERGY_LAMB_SYSTEM 0x1000000010000041LL /** @} */ /** Flag to specify if a data block contains data related to particles or not.*/ |