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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1272 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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This commit is contained in:
sjplimp
2008-01-02 19:24:46 +00:00
parent 428ca84042
commit b2e9f7dc10
145 changed files with 2801 additions and 2615 deletions
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10
src/compute_temp_ramp.cpp
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@ -29,6 +29,9 @@ using namespace LAMMPS_NS;
#define MIN(A,B) ((A) < (B)) ? (A) : (B)
#define MAX(A,B) ((A) > (B)) ? (A) : (B)
#define INVOKED_SCALAR 1
#define INVOKED_VECTOR 2
/* ---------------------------------------------------------------------- */
ComputeTempRamp::ComputeTempRamp(LAMMPS *lmp, int narg, char **arg) :
@ -101,7 +104,8 @@ ComputeTempRamp::ComputeTempRamp(LAMMPS *lmp, int narg, char **arg) :
scalar_flag = vector_flag = 1;
size_vector = 6;
extensive = 0;
extscalar = 0;
extvector = 1;
tempflag = 1;
vector = new double[6];
@ -141,6 +145,8 @@ double ComputeTempRamp::compute_scalar()
{
double fraction,vramp,vthermal[3];
invoked |= INVOKED_SCALAR;
double **x = atom->x;
double **v = atom->v;
double *mass = atom->mass;
@ -181,6 +187,8 @@ void ComputeTempRamp::compute_vector()
int i;
double fraction,vramp,vthermal[3];
invoked |= INVOKED_VECTOR;
double **x = atom->x;
double **v = atom->v;
double *mass = atom->mass;