forked from lijiext/lammps
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1652 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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@ -70,12 +70,14 @@ void ComputeTempAsphere::init()
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fix_dof += modify->fix[i]->dof(igroup);
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recount();
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tempbias = 0;
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tbias = NULL;
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if (id_bias) {
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tempbias = 1;
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int i = modify->find_compute(id_bias);
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if (i < 0) error->all("Could not find compute ID for temperature bias");
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tbias = modify->compute[i];
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} else tempbias = 0;
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}
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calculate_inertia();
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}
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@ -58,6 +58,8 @@ void ComputeTemp::init()
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fix_dof += modify->fix[i]->dof(igroup);
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recount();
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tempbias = 0;
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tbias = NULL;
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if (id_bias) {
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tempbias = 1;
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int i = modify->find_compute(id_bias);
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@ -66,6 +66,7 @@ void ComputeTempCOM::init()
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recount();
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masstotal = group->mass(igroup);
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tbias = NULL;
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if (id_bias) {
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int i = modify->find_compute(id_bias);
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if (i < 0) error->all("Could not find compute ID for temperature bias");
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@ -73,6 +73,7 @@ void ComputeTempDeform::init()
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fix_dof += modify->fix[i]->dof(igroup);
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recount();
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tbias = NULL;
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if (id_bias) {
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int i = modify->find_compute(id_bias);
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if (i < 0) error->all("Could not find compute ID for temperature bias");
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@ -67,6 +67,7 @@ void ComputeTempPartial::init()
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fix_dof += modify->fix[i]->dof(igroup);
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recount();
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tbias = NULL;
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if (id_bias) {
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int i = modify->find_compute(id_bias);
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if (i < 0) error->all("Could not find compute ID for temperature bias");
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@ -132,6 +132,7 @@ void ComputeTempRamp::init()
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fix_dof += modify->fix[i]->dof(igroup);
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recount();
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tbias = NULL;
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if (id_bias) {
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int i = modify->find_compute(id_bias);
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if (i < 0) error->all("Could not find compute ID for temperature bias");
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@ -63,6 +63,7 @@ void ComputeTempRegion::init()
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{
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dof = 0;
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tbias = NULL;
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if (id_bias) {
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int i = modify->find_compute(id_bias);
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if (i < 0) error->all("Could not find compute ID for temperature bias");
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@ -62,12 +62,14 @@ void ComputeTempSphere::init()
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fix_dof += modify->fix[i]->dof(igroup);
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recount();
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tempbias = 0;
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tbias = NULL;
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if (id_bias) {
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tempbias = 1;
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int i = modify->find_compute(id_bias);
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if (i < 0) error->all("Could not find compute ID for temperature bias");
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tbias = modify->compute[i];
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} else tempbias = 0;
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}
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if (atom->mass) {
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double *mass = atom->mass;
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