X-Git-Url: https://hackdaworld.org/gitweb/?a=blobdiff_plain;f=moldyn.h;fp=moldyn.h;h=cd7c5d02b890b6fbe3374cce2de1ee05d3559e89;hb=1bcee27b60522025d3f43ad02347c413f6030698;hp=0f37a35cb15d6796663b12a8fb20b271fde13981;hpb=0d1dfb1e5027d215fced8ca306dd658f692a2a44;p=physik%2Fposic.git diff --git a/moldyn.h b/moldyn.h index 0f37a35..cd7c5d0 100644 --- a/moldyn.h +++ b/moldyn.h @@ -145,6 +145,7 @@ typedef struct s_moldyn { double p_ref; /* reference pressure */ double p; /* actual pressure (computed by virial) */ + double px,py,pz; /* components of pressure */ double p_sum; /* sum over all p */ double p_avg; /* average value of p */