IPKM/python-pygmx
3
0
Fork 0
Code Issues Pull Requests Activity

Switched to Headers fo the Gromacs-2016 branch.

Browse Source
This commit is contained in:
Niels Müller
2016-09-27 12:22:58 +02:00
parent f4e2501142
commit ad482006b0
6 changed files with 36 additions and 10 deletions
Download Patch File Download Diff File Expand all files Collapse all files

6
pygmx/mdtypes.pxd
View File

@ -2,14 +2,14 @@
from utility cimport *
from math cimport *
cdef extern from "gromacs/legacyheaders/types/energy.h":
cdef extern from "gromacs/trajectory/energy.h":
ctypedef struct t_energy:
real e
double eav
double esum
cdef extern from "gromacs/legacyheaders/types/inputrec.h":
cdef extern from "gromacs/mdtypes/inputrec.h":
ctypedef struct t_simtemp:
pass
ctypedef struct t_lambda: