src/initial.f90 | 2 1 + 1 - 0 !
1 file changed, 1 insertion(+), 1 deletion(-)

 [patch] fix infinite loop guessing initial coordinates

src/getinp.f90 | 14 9 + 5 - 0 !
1 file changed, 9 insertions(+), 5 deletions(-)

 [patch] initialize maxmove variable for all file types.

maxmove sets the number of molecules that may be moved to a better
position and defaults to all molecules in the structure section. However
this was only being parsed for the pdb file format, resulting in 0
molecules being moved in movebad in heuristics.F90 and failure to
converge for inputs of non-pdb file formats.

This PR sets the default value regardless of file type and parses it out
of the structure section.