[gmx-users] wrong with new variables

Nguyen Hoang Phuong phuong at theochem.uni-frankfurt.de
Fri Sep 3 19:44:13 CEST 2004


Dear All,

for some reason, I define the new variables in the pdihs of bondfree.c
like this

real pdihs(int nbonds,
           t_iatom forceatoms[],t_iparams forceparams[],
           rvec x[],rvec f[],t_forcerec *fr,t_graph *g,
           matrix box,real lambda,real *dvdlambda,
           t_mdatoms *md,int ngrp,real egnb[],real egcoul[],
           t_fcdata *fcd)
{

  int  i,type,ai,aj,ak,al;
  rvec r_ij,r_kj,r_kl,m,n;
  real phi,cos_phi,sign,ddphi,vpd,vtot;
  real temp,beta,scale,qqq,epsilon;  <-----my variables

when I run

make

I got this

warning: `temp' might be used uninitialized in this function
bondfree.c:715: warning: `qqq' might be used uninitialized in this
function
bondfree.c:715: warning: `epsilon' might be used uninitialized in this
function
make[3]: *** [bondfree.lo] Error 1

Does anyone know what is wrong here?

thanks,

Phuong




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