Added routine add_t_atoms to increase the length of an existing t_atoms
commitc6f90ffe38462f2f465903423eabbe843eae0394
authorDavid van der Spoel <spoel@anfinsen.bmc.uu.se>
Wed, 10 Mar 2010 16:59:29 +0000 (10 17:59 +0100)
committerDavid van der Spoel <spoel@anfinsen.bmc.uu.se>
Wed, 10 Mar 2010 16:59:29 +0000 (10 17:59 +0100)
tree026193cc6faa2ee0b855c083e44b9a466a31fa50
parent79ebc22be4af13b8824aafa6fecb935e4bcce186
Added routine add_t_atoms to increase the length of an existing t_atoms
structure to typedefs.h. Fixed bug in pr_alloc routine for CMAP code
elements that were not initiated properly. Added check in add_atomtype
for already existing atomtypes.
src/gmxlib/typedefs.c
src/kernel/gpp_atomtype.c
src/kernel/toputil.c