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Searched refs:xyzdata (Results 1 – 4 of 4) sorted by relevance

/dports/science/py-pymol/pymol-open-source-2.4.0/contrib/uiuc/plugins/molfile_plugin/src/
H A Dxyzplugin.c64 } xyzdata; typedef
69 xyzdata *data; in open_xyz_read()
75 data = (xyzdata *)malloc(sizeof(xyzdata)); in open_xyz_read()
98 xyzdata *data = (xyzdata *)mydata; in read_xyz_structure()
156 xyzdata *data = (xyzdata *)mydata; in read_xyz_timestep()
190 xyzdata *data = (xyzdata *)mydata; in close_xyz_read()
200 xyzdata *data; in open_xyz_write()
209 data = (xyzdata *)malloc(sizeof(xyzdata)); in open_xyz_write()
218 xyzdata *data = (xyzdata *)mydata; in write_xyz_structure()
225 xyzdata *data = (xyzdata *)mydata; in write_xyz_timestep()
[all …]
/dports/science/jmol/jmol-14.32.7/src/org/jmol/scriptext/
H A DIsoExt.java2405 float[][][] xyzdata = null; in isosurface() local
2411 xyzdata = floatArraySetXYZ(++eval.iToken, nX, nY, nZ); in isosurface()
2413 xyzdata = (float[][][]) vwr.getDataObj(name, null, in isosurface()
2416 xyzdata = vwr.functionXYZ(name, nX, nY, nZ); in isosurface()
2421 if (xyzdata == null) { in isosurface()
2425 if (xyzdata.length != nX || xyzdata[0].length != nY in isosurface()
2426 || xyzdata[0][0].length != nZ) { in isosurface()
2429 "xyzdata[" + xyzdata.length + "][" + xyzdata[0].length + "][" in isosurface()
2430 + xyzdata[0][0].length + "] is not of size [" + nX + "][" in isosurface()
2433 vxy.addLast(xyzdata); // (5) = float[][][] data in isosurface()
[all …]
/dports/science/quantum-espresso/q-e-qe-6.7.0/Modules/
H A Dbspline.f901286 subroutine dbs3in(nx,xvec,ny,yvec,nz,zvec,xyzdata,ldf,mdf,kx,ky,kz, & argument
1344 real(dp), dimension(ldf,mdf,nz), intent(in) :: xyzdata local
1354 call spli3d(zvec,ldf,mdf,xyzdata,zknot,nz,kz,nx,ny,work2,work3,work1, &
1368 subroutine spli3d(xyzvec,ldf,mdf,xyzdata,xyzknot,n,k,m,l,work2,work3, & argument
1377 real(dp), dimension(ldf,mdf,*), intent(in) :: xyzdata local
1428 work2(in) = xyzdata(i,j,in)
/dports/science/jmol/jmol-14.32.7/src/org/jmol/viewer/
H A DViewer.java8227 float[][][] xyzdata; in functionXYZ() local
8229 xyzdata = (float[][][]) getDataObj(functionName, null, in functionXYZ()
8231 if (xyzdata != null) in functionXYZ()
8232 return xyzdata; in functionXYZ()
8235 xyzdata = new float[nX][nY][nZ]; in functionXYZ()
8241 xyzdata[i][j][k] = f[n++]; in functionXYZ()
8242 return xyzdata; in functionXYZ()