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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@937 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2007-10-03 16:22:30 +00:00
parent 92ff097469
commit 9be7620ace
96 changed files with 3347 additions and 3735 deletions
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7
src/compute.h
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@ -39,18 +39,19 @@ class Compute : protected Pointers {
// must have both compute_scalar, compute_vector
int pressflag; // 1 if Compute can be used as pressure (uses virial)
// must have both compute_scalar, compute_vector
char *id_pre; // ID of Compute that needs to be computed before this
double dof; // degrees-of-freedom for temperature
int npre; // # of computes to compute before this one
char **id_pre; // IDs of Computes to compute before this one
int comm_forward; // size of forward communication (0 if none)
int comm_reverse; // size of reverse communication (0 if none)
int neigh_half_once; // 1 if requires half neighbor lists
int neigh_full_once; // 1 if requires full neighbor lists
Compute(class LAMMPS *, int, char **);
virtual ~Compute();
void modify_params(int, char **);
virtual void init() = 0;
virtual void init_list(int, class NeighList *) {}
virtual double compute_scalar() {return 0.0;}
virtual void compute_vector() {}
virtual void compute_peratom() {}