29 October 2024 9:17:52.512 PM xyz_io_test(): FORTRAN90 version Test xyz_io(). TEST01 XYZ_EXAMPLE sets up sample XYZ data. XYZ_WRITE writes an XYZ file. Example dataset size is 101 XYZ_WRITE wrote the header and data for "helix.xyz". Number of points = 101 TEST02 XYZ_HEADER_READ reads the header of an XYZ file. XYZ_DATA_READ reads the data of an XYZ file. XYZ_WRITE_TEST created some data. XYZ_HEADER_READ has read the header. Number of points = 101 XYZ_DATA_READ has read the data. Sample data: 1 1.0000 0.0000 0.0000 11 -0.3090 0.9511 0.2000 21 -0.8090 -0.5878 0.4000 31 0.8090 -0.5878 0.6000 41 0.3090 0.9511 0.8000 51 -1.0000 0.0000 1.0000 61 0.3090 -0.9511 1.2000 71 0.8090 0.5878 1.4000 81 -0.8090 0.5878 1.6000 91 -0.3090 -0.9511 1.8000 101 1.0000 -0.0000 2.0000 TEST03 XYZL_EXAMPLE sets up XYZ and XYZL data. Example has: Number of points = 8 Number of lines = 6 Number of line items = 18 Wrote the XYZ file "cube.xyz", and the XYZL file "cube.xyzl". TEST04 XYZ_HEADER_READ reads the header of an XYZ file. XYZ_DATA_READ reads the data of an XYZ file. XYZL_HEADER_READ reads the header of an XYZL file. XYZL_DATA_READ reads the data of an XYZL file. Examine XYZ file "cube.xyz". Number of points = 8 Point data: 1 0.0000 0.0000 0.0000 2 1.0000 0.0000 0.0000 3 1.0000 1.0000 0.0000 4 0.0000 1.0000 0.0000 5 0.0000 0.0000 1.0000 6 1.0000 0.0000 1.0000 7 1.0000 1.0000 1.0000 8 0.0000 1.0000 1.0000 Examine XYZL file "cube.xyzl". Number of lines = 6 Number of line items = 18 Line pointers: 1 1 5 2 6 10 3 11 12 4 13 14 5 15 16 6 17 18 Line data: 1 1 2 3 4 1 2 5 6 7 8 5 3 1 5 4 2 6 5 3 7 6 4 8 TEST05 XYZF_EXAMPLE sets up XYZ and XYZF data. Example has: Number of points = 8 Number of faces = 6 Number of face items = 24 Wrote the XYZ file "cube.xyz", and the XYZF file "cube.xyzf". TEST06 XYZ_HEADER_READ reads the header of an XYZ file. XYZ_DATA_READ reads the data of an XYZ file. XYZF_HEADER_READ reads the header of an XYZF file. XYZF_DATA_READ reads the data of an XYZF file. Examine XYZ file "cube.xyz". Number of points = 8 Point data: 1 0.0000 0.0000 0.0000 2 1.0000 0.0000 0.0000 3 1.0000 1.0000 0.0000 4 0.0000 1.0000 0.0000 5 0.0000 0.0000 1.0000 6 1.0000 0.0000 1.0000 7 1.0000 1.0000 1.0000 8 0.0000 1.0000 1.0000 Examine XYZF file "cube.xyzf". Number of faces = 6 Number of face items = 24 Face pointers: 1 1 4 2 5 8 3 9 12 4 13 16 5 17 20 6 21 24 Face data: 1 1 4 3 2 2 2 3 7 6 3 5 6 7 8 4 5 8 4 1 5 1 2 6 5 6 3 4 8 7 XYZ_IO_TEST(): Normal end of execution. 29 October 2024 9:17:52.513 PM