/dports/science/apbs/apbs-pdb2pqr-apbs-1.5-102-g500c1473/pdb2pqr/extensions/ |
H A D | chi.py | 57 gcoords = residue.getAtom("CG").getCoords() 59 gcoords = residue.getAtom("OG").getCoords() 61 gcoords = residue.getAtom("SG").getCoords() 65 chi = getDihedral(ncoords, cacoords, cbcoords, gcoords)
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/dports/science/PETSc/petsc-3.14.1/src/dm/tests/ |
H A D | ex32.c | 26 Vec coords,gcoords,gcoords2; in TestQ2Q1DA() local 43 ierr = DMGetCoordinatesLocal(Q1_da,&gcoords);CHKERRQ(ierr); in TestQ2Q1DA() 52 ierr = CompareGhostedCoords(gcoords,gcoords2);CHKERRQ(ierr); in TestQ2Q1DA() 56 ierr = VecScale(gcoords,10.0);CHKERRQ(ierr); in TestQ2Q1DA() 58 ierr = CompareGhostedCoords(gcoords,gcoords2);CHKERRQ(ierr); in TestQ2Q1DA()
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/dports/science/PETSc/petsc-3.14.1/src/dm/impls/plex/ |
H A D | plexegads.c | 40 …orCode DMPlexSnapToGeomModel(DM dm, PetscInt p, const PetscScalar mcoords[], PetscScalar gcoords[]) in DMPlexSnapToGeomModel() argument 66 for (d = 0; d < dE; ++d) gcoords[d] = mcoords[d]; in DMPlexSnapToGeomModel() 88 for (d = 0; d < dE; ++d) gcoords[d] = mcoords[d]; in DMPlexSnapToGeomModel() 108 for (d = 0; d < dE; ++d) gcoords[d] = result[d]; in DMPlexSnapToGeomModel() 110 for (d = 0; d < dE; ++d) gcoords[d] = mcoords[d]; in DMPlexSnapToGeomModel()
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H A D | plexfem.c | 1221 PetscReal *coords, *gcoords; in DMPlexComputeL2DiffLocal() local 1295 gcoords = &coords[coordDim*Nq]; in DMPlexComputeL2DiffLocal() 1298 gcoords = &coords[coordDim*q]; in DMPlexComputeL2DiffLocal() 1300 ierr = (*funcs[field])(coordDim, time, gcoords, Nc, funcVal, ctx); in DMPlexComputeL2DiffLocal() 1341 PetscReal *coords, *gcoords; in DMComputeL2GradientDiff_Plex() local 1403 gcoords = &coords[coordDim*Nq]; in DMComputeL2GradientDiff_Plex() 1406 gcoords = &coords[coordDim*q]; in DMComputeL2GradientDiff_Plex() 1485 PetscReal *coords, *gcoords; in DMComputeL2FieldDiff_Plex() local 1548 gcoords = &coords[dE*Nq]; in DMComputeL2FieldDiff_Plex() 1551 gcoords = &coords[dE*q]; in DMComputeL2FieldDiff_Plex() [all …]
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/dports/science/PETSc/petsc-3.14.1/src/dm/impls/plex/ftn-auto/ |
H A D | plexegadsf.c | 42 …dmplexsnaptogeommodel_(DM dm,PetscInt *p, PetscScalar mcoords[],PetscScalar gcoords[], int *__ierr) in dmplexsnaptogeommodel_() argument 45 (DM)PetscToPointer((dm) ),*p,mcoords,gcoords); in dmplexsnaptogeommodel_()
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/dports/math/ggobi/ggobi-2.1.11/src/ |
H A D | movepts.c | 106 movept_screen_to_raw (splotd * sp, gint ipt, gcoords * eps, in movept_screen_to_raw() 110 gcoords planar; in movept_screen_to_raw() 140 movept_plane_to_raw (splotd * sp, gint ipt, gcoords * eps, GGobiData * d, in movept_plane_to_raw() 144 gcoords planar; in movept_plane_to_raw()
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H A D | splot.h | 72 gcoords *planar; 79 gcoords iscale; 80 gcoords pmid; /*-- center of the screen in planar/world coords --*/
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H A D | lineedit.c | 465 gcoords * eps, gcoords * planar, splotd * sp) in pt_screen_to_plane() 467 gcoords prev_planar; in pt_screen_to_plane() 508 pt_plane_to_world (splotd * sp, gcoords * planar, gcoords * eps, in pt_plane_to_world() 588 greal * raw, gcoords * eps, GGobiData * d, splotd * sp, in pt_screen_to_raw() 592 gcoords planar; in pt_screen_to_raw() 609 gcoords eps; in fetch_default_record_values()
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H A D | splot.c | 366 sp->planar = (gcoords *) g_realloc (sp->planar, in splot_points_realloc() 367 d->nrows * sizeof (gcoords)); in splot_points_realloc() 405 sp->planar = (gcoords *) g_malloc (nr * sizeof (gcoords)); in splot_alloc() 740 splot_screen_to_plane (splotd *sp, gint pt, gcoords *eps, in splot_screen_to_plane() 743 gcoords prev_planar; in splot_screen_to_plane()
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H A D | types.h | 62 } gcoords; typedef 250 gcoords planar;
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H A D | ggobi.h | 416 gcoords eps;
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H A D | externs.h | 50 …o_plane (icoords *screen, gint id, gboolean horiz, gboolean vert, gcoords *eps, gcoords *planar, s… 51 void pt_plane_to_world (splotd *sp, gcoords *planar, gcoords *eps, greal *world);
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H A D | tsPlot.c | 185 gcoords planar, world; in splotScreenToTform()
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H A D | scatmatClass.c | 433 gcoords planar, world; in splotScreenToTform()
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H A D | barchartClass.c | 423 gcoords planar, world; in barchartScreenToTform()
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H A D | parcoordsClass.c | 543 gcoords planar, world; in splotScreenToTform()
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H A D | scatterplotClass.c | 1542 gcoords planar, world; in splotScreenToTform()
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/dports/science/PETSc/petsc-3.14.1/src/mat/tests/ |
H A D | ex66.c | 102 PetscReal *gcoords; in main() local 114 ierr = PetscMalloc1(dim*N,&gcoords);CHKERRQ(ierr); in main() 115 ierr = PetscSFBcastBegin(sf,dtype,coords,gcoords);CHKERRQ(ierr); in main() 116 ierr = PetscSFBcastEnd(sf,dtype,coords,gcoords);CHKERRQ(ierr); in main() 119 } else gcoords = (PetscReal*)coords; in main() 124 …ierr = MatSetValue(A,i,j,(*k)(dim,gcoords + i*dim,gcoords + j*dim,NULL),INSERT_VALUES);CHKERRQ(ier… in main() 134 if (gcoords != coords) { ierr = PetscFree(gcoords);CHKERRQ(ierr); } in main()
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/dports/science/PETSc/petsc-3.14.1/src/mat/impls/hara/ |
H A D | mathara.cu | 1130 PetscReal *gcoords; in MatHaraSetCoords_HARA() local 1154 ierr = PetscMalloc1(spacedim*N,&gcoords);CHKERRQ(ierr); in MatHaraSetCoords_HARA() 1155 ierr = PetscSFBcastBegin(sf,dtype,coords,gcoords);CHKERRQ(ierr); in MatHaraSetCoords_HARA() 1156 ierr = PetscSFBcastEnd(sf,dtype,coords,gcoords);CHKERRQ(ierr); in MatHaraSetCoords_HARA() 1159 } else gcoords = (PetscReal*)coords; in MatHaraSetCoords_HARA() 1170 hara->ptcloud1 = new PetscPointCloud1D<PetscReal>(N,gcoords); in MatHaraSetCoords_HARA() 1174 hara->ptcloud2 = new PetscPointCloud2D<PetscReal>(N,gcoords); in MatHaraSetCoords_HARA() 1178 hara->ptcloud3 = new PetscPointCloud3D<PetscReal>(N,gcoords); in MatHaraSetCoords_HARA() 1184 if (gcoords != coords) { ierr = PetscFree(gcoords);CHKERRQ(ierr); } in MatHaraSetCoords_HARA()
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/dports/biology/ncbi-cxx-toolkit/ncbi_cxx--25_2_0/include/algo/gnomon/ |
H A D | gnomon_model.hpp | 225 …Info(bool gcoords = true): m_confirmed_start(false), m_confirmed_stop(false), m_open(false), m_sco… in CCDSInfo() argument
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/dports/science/PETSc/petsc-3.14.1/ |
H A D | CTAGS | 5848 …pToGeomModel(DM dm, PetscInt p, const PetscScalar mcoords[], PetscScalar gcoords[])$/;" f language…
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