2h06 1h07 2h07 1h08 2h08 1h09 2h09 1h10 2h10 1h11 m j … · 7 4.0.0.1 developer's guide: pyre...

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ID WBS Task Name Start Finish 0 0 6/1/06 5/31/11 1 1 CORE 6/1/06 5/31/11 2 2.1 Project Administration 6/1/06 5/31/11 22 2.2 Project Resources 6/1/06 5/31/11 43 2 SQA 6/1/06 2/26/10 1 3.1 Software Quality 6/1/06 2/26/10 2 3.1.1 Software Quality Assurance 6/1/06 10/31/07 5 3.1.2 SNS Interface Requirements 6/1/06 2/26/10 10 3.1.3 Software Integration and Certification 6/1/06 2/26/10 15 3.1.4 Software Testing 6/1/06 2/26/10 20 3.2 SQA Resources 6/1/06 2/26/10 21 3.2.1 SQA Admin Support 6/1/06 2/26/10 26 3.2.2 SQA Materials/Supplies 6/1/06 2/26/10 31 3.2.3 SQA Travel 6/1/06 2/26/10 44 3 CTRL 6/1/06 5/31/11 1 4.0 Developer Services 11/13/06 5/31/11 2 4.0.0.0 Developer's Guide: Tutorial & Inline 4/2/07 5/31/11 7 4.0.0.1 Developer's Guide: pyre User's Guide 11/3/08 5/29/09 9 4.0.2 Build System 11/13/06 5/11/07 12 4.1 Distributed Computing 3/2/07 5/27/11 13 4.1.1.0 Distributed Component Control Layer 3/2/07 3/8/10 17 4.1.1.1 Requirements for Distributed Control Layer 11/10/08 11/30/09 20 4.1.2.0 Scripting Access 1/25/10 8/2/10 23 4.1.2.1 Requirements for Scripting Access 5/7/09 6/28/10 27 4.1.3.0 Standard Services 7/29/10 5/27/11 29 4.1.3.1 Requirements for Standard Services 1/7/10 12/22/10 32 4.1.4 Integration of GGF Services 3/8/10 12/10/10 35 4.1.5 Grid Services Light (GSL) 1/5/09 8/10/09 38 4.1.6 Implementation of GSL using TeraGrid Standard Softwa 6/30/09 6/30/10 41 4.1.7 Reliability 10/11/10 5/25/11 43 4.2 Visualization 7/16/08 1/24/11 44 4.2.2 Advanced Graphical Environments 7/16/08 1/24/11 48 4.3 User Interfaces 8/31/06 5/26/11 49 4.3.1.0 Scripting Layer 8/31/06 10/29/10 53 4.3.1.1 Requirements for Scripting Layer 10/9/08 5/31/10 56 4.3.2.0 Graphical User Interface Infrastructure 7/30/07 10/30/09 61 4.3.2.1 Requirements for UI Infrastructure 10/1/08 9/28/09 64 4.3.3.0 Standard Widget Set 10/2/09 5/28/10 66 4.3.3.1 Requirements for Standard Widget Set 10/1/08 2/25/10 69 4.3.4 Repository Tracking and Ticketing 8/31/06 6/25/07 72 4.3.5 Visual Component Map Editor 9/1/10 5/26/11 74 4.3.6.0 Advanced Widget Set 9/3/10 4/29/11 76 4.3.6.1 Requirements for Advanced Widget Set 5/4/09 11/30/10 80 4.4 User Layer Data Services 2/4/09 3/18/11 81 4.4.1 Access to the Neutron Science Portal and Facility Datab 2/4/09 4/30/09 83 4.4.2 NeXus and XML Tools 5/1/09 2/22/10 86 4.4.3.0 Data Provenance 5/3/10 12/20/10 89 4.4.3.1 Requirements for Data Provenance 11/6/09 7/2/10 92 4.4.5 Documentation Librarian 1/7/11 3/18/11 94 4.5 CTRL Resources 6/1/06 5/31/11 95 4.5.0 Computing Infrastructure 9/1/06 6/2/10 102 4.5.1 CTRL Sysadmin Support 6/1/06 5/31/11 108 4.5.2 CTRL Materials/Supplies 6/1/06 5/31/11 114 4.5.3 CTRL Travel 6/1/06 5/31/11 120 4.5.4 Maintenance and Updates 6/1/06 5/31/11 121 4.5.4.a Bayesian Analysis Requirements for Optimization F 5/1/07 11/1/07 123 4.5.4.b Requirements for Event Handling within Optimizati 10/1/08 11/20/09 126 4.5.4.c pyre Framework Language Update 11/13/08 11/2/09 129 4.5.4.d Backport of Framework Updates 1/12/09 12/6/10 133 4.5.4.x Maintenance and Updates 6/1/06 5/31/11 45 4 DIFF 6/1/06 5/31/11 1 5.4.3 Basic Numerical Transformations 8/15/08 9/12/08 2 5.4.3.1 Analytical Functions 8/15/08 9/12/08 4 5.4.5 Crystallography 6/2/08 8/30/10 5 5.4.5.0 Crystallography 6/2/08 9/1/08 7 5.4.5.1 Bindings to cctbx 9/3/08 5/29/09 9 5.4.5.2 Bindings to FOX 8/6/09 4/2/10 11 5.4.5.5 Bindings to ObjCryst++ 12/3/09 8/30/10 14 5.4.6 Molecular Viewers and Format Translators 9/1/06 12/2/10 15 5.4.6.0 Molecular and Crystal Structure Viewer 11/10/06 6/1/07 18 5.4.6.1 Bindings to CIF Reader 6/6/07 4/6/09 21 5.4.6.3 Bindings to PyMol 9/1/06 10/4/06 23 5.4.6.4 Advanced Molecular and Crystal Structure Viewer 8/4/10 12/2/10 25 6.1.1 Powder Diffraction Reduction 5/1/07 5/18/11 26 6.1.1.1 Powder Diffraction Reduction Drivers 5/31/10 2/24/11 29 6.1.1.2 Powder Diffraction Reduction Corrections 5/1/07 5/18/11 32 6.1.2 Single Crystal Diffraction Reduction 4/1/10 4/26/11 33 6.1.2.1 Single Crystal Diffraction Reduction Drivers 4/1/10 4/26/11 36 6.1.2.2 Single Crystal Diffraction Reduction Corrections 6/1/10 2/25/11 38 6.1.3 SNS Neutron Diffractometers 6/2/08 5/24/11 39 6.1.3.0 Extension to POWGEN3 Reduction 6/2/08 12/29/08 41 6.1.3.1 Support for POWGEN3 6/10/09 12/7/09 43 6.1.3.2 Support for NOMAD 7/5/10 1/28/11 45 6.1.3.3 Support for SCD 11/25/10 5/24/11 47 6.1.3.4 Support for Refinements on VULCAN 3/25/11 5/24/11 49 6.1.4 Existing Neutron Diffractometers 12/7/09 7/2/10 50 6.1.4.2 Support for NPDF 12/7/09 7/2/10 53 6.2.0 Model Refinement I 10/5/07 5/27/11 54 6.2.0.0 Diffpy Module Component Library 10/5/07 11/28/08 57 6.2.0.1 Joint Model Refinement 7/13/09 4/1/11 60 6.2.0.2 Real-space Model Refinement 5/5/10 12/1/10 63 6.2.0.3 Reciprocal-space Model Refinement 11/1/10 5/27/11 65 6.2.1 Model Refinement II 10/2/06 5/5/10 66 6.2.1.0 DiffPy Scripting Library 10/7/09 5/5/10 68 6.2.1.1 Basic Joint Model Refinement 1/7/08 5/29/09 71 6.2.1.2 Basic Real-Space Model Refinement 8/20/07 3/23/09 74 6.2.1.3 Basic Reciprocal Space Model Refinement 4/4/08 3/24/09 77 6.2.1.4 Bindings to PDFFIT2 10/2/06 10/26/07 80 6.2.1.5 Bindings to FullProf 5/10/07 8/1/08 84 6.2.1.6 Bindings to GSAS 12/1/08 10/27/09 87 6.2.2 Extensions to Analytic Functions 12/3/08 3/30/10 88 6.2.2.1 Extensions to Analytic Background and Profile Functio8/5/09 2/1/10 90 6.2.2.2 Extensions to Analytic Regression Constraints 12/1/09 3/30/10 92 6.2.2.3 Extensions to Regression Algorithms 12/3/08 7/31/09 95 6.2.3 Model-Independent Peak Fitting 3/30/09 11/25/09 98 6.2.4 Refinement Extensions 6/4/09 5/31/11 99 6.2.4.1 Magnetic Refinement 6/4/09 5/31/10 101 6.2.4.2 Refinement of Incommensurate Structures 11/2/10 5/31/11 103 6.2.5 Regression Constraints 1/7/08 2/6/09 104 6.2.5.1 Adaptors for Regression Algorithms 1/10/08 2/3/09 107 6.2.5.2 Adaptors for Regression Constraints 1/7/08 2/6/09 110 6.2.6 Refinement Support Applications 7/2/07 4/8/11 111 6.2.6.1 Bond Valence-Sum Calculator 10/5/09 5/31/10 113 6.2.6.2 Calculate Partial PDFs of Model Configurations 7/2/07 11/28/07 115 6.2.6.3 Advanced Calculations of Partial PDFs 12/13/10 4/8/11 117 6.2.7 Refinement Applications 9/14/06 7/21/10 118 6.2.7.2 Model Refinement VPE 3/30/09 7/21/10 122 6.2.7.3 Real-Space Model Refinement Launcher 1/15/07 11/9/07 125 6.2.7.4 Real-Space Model Refinement UI 9/14/06 5/1/07 128 6.2.7.5 Reciprocal-Space Model Refinement Launcher 7/13/07 12/10/07 130 6.2.7.6 Reciprocal-Space Model Refinement UI 2/2/07 8/25/08 134 6.2.8 Refinement Data Structures 7/2/07 2/25/11 135 6.2.8.1 Refinement Data Objects 7/2/07 12/28/07 137 6.2.8.2 Refinement Database Interface 10/11/10 2/7/11 139 6.2.8.3 Automated Feedback Refinement Control 3/4/08 2/27/09 142 6.2.8.4 Crystallographic Indexing 5/31/10 2/25/11 145 6.3.1 DIFF Instrument Simulation 9/8/08 4/7/10 146 6.3.1.1 Sample Cross-Section Optimization Launcher 9/9/09 4/7/10 148 6.3.1.3 Diffraction Instrument Simulation Application 9/8/08 6/4/09 150 6.3.1.4 Diffraction Scattering Kernels 7/13/09 1/7/10 152 6.3.x Maintenance and Updates 6/1/06 5/31/11 158 6.4 DIFF Resources 6/1/06 5/31/11 159 6.4.1 DIFF Admin Support 6/1/06 5/31/11 165 6.4.2 DIFF Materials/Supplies 6/1/06 5/31/11 171 6.4.3 DIFF Travel 6/1/06 5/31/11 177 11.2.1 DIFF Education & Outreach 6/2/09 5/31/10 182 11.3.4 DIFF Minority Student Research 6/1/06 5/31/11 M J J A S O N D J F M A M J J A S O N D J F M A M J J A S O N D J F M A M J J A S O N D J F M A M J J A S O N D J F M A M J 2H06 1H07 2H07 1H08 2H08 1H09 2H09 1H10 2H10 1H11 Task Split Progress Milestone Summary Project Summary External Tasks External Milestone Deadline Page 1 Project: Date: 5/28/09

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ID WBS Task Name Start Finish

0 0 6/1/06 5/31/111 1 CORE 6/1/06 5/31/112 2.1 Project Administration 6/1/06 5/31/1122 2.2 Project Resources 6/1/06 5/31/1143 2 SQA 6/1/06 2/26/101 3.1 Software Quality 6/1/06 2/26/102 3.1.1 Software Quality Assurance 6/1/06 10/31/075 3.1.2 SNS Interface Requirements 6/1/06 2/26/1010 3.1.3 Software Integration and Certification 6/1/06 2/26/1015 3.1.4 Software Testing 6/1/06 2/26/1020 3.2 SQA Resources 6/1/06 2/26/1021 3.2.1 SQA Admin Support 6/1/06 2/26/1026 3.2.2 SQA Materials/Supplies 6/1/06 2/26/1031 3.2.3 SQA Travel 6/1/06 2/26/1044 3 CTRL 6/1/06 5/31/111 4.0 Developer Services 11/13/06 5/31/112 4.0.0.0 Developer's Guide: Tutorial & Inline 4/2/07 5/31/117 4.0.0.1 Developer's Guide: pyre User's Guide 11/3/08 5/29/099 4.0.2 Build System 11/13/06 5/11/0712 4.1 Distributed Computing 3/2/07 5/27/1113 4.1.1.0 Distributed Component Control Layer 3/2/07 3/8/1017 4.1.1.1 Requirements for Distributed Control Layer 11/10/08 11/30/0920 4.1.2.0 Scripting Access 1/25/10 8/2/1023 4.1.2.1 Requirements for Scripting Access 5/7/09 6/28/1027 4.1.3.0 Standard Services 7/29/10 5/27/1129 4.1.3.1 Requirements for Standard Services 1/7/10 12/22/1032 4.1.4 Integration of GGF Services 3/8/10 12/10/1035 4.1.5 Grid Services Light (GSL) 1/5/09 8/10/0938 4.1.6 Implementation of GSL using TeraGrid Standard Softwa 6/30/09 6/30/1041 4.1.7 Reliability 10/11/10 5/25/1143 4.2 Visualization 7/16/08 1/24/1144 4.2.2 Advanced Graphical Environments 7/16/08 1/24/1148 4.3 User Interfaces 8/31/06 5/26/1149 4.3.1.0 Scripting Layer 8/31/06 10/29/1053 4.3.1.1 Requirements for Scripting Layer 10/9/08 5/31/1056 4.3.2.0 Graphical User Interface Infrastructure 7/30/07 10/30/0961 4.3.2.1 Requirements for UI Infrastructure 10/1/08 9/28/0964 4.3.3.0 Standard Widget Set 10/2/09 5/28/1066 4.3.3.1 Requirements for Standard Widget Set 10/1/08 2/25/1069 4.3.4 Repository Tracking and Ticketing 8/31/06 6/25/0772 4.3.5 Visual Component Map Editor 9/1/10 5/26/1174 4.3.6.0 Advanced Widget Set 9/3/10 4/29/1176 4.3.6.1 Requirements for Advanced Widget Set 5/4/09 11/30/1080 4.4 User Layer Data Services 2/4/09 3/18/1181 4.4.1 Access to the Neutron Science Portal and Facility Datab 2/4/09 4/30/0983 4.4.2 NeXus and XML Tools 5/1/09 2/22/1086 4.4.3.0 Data Provenance 5/3/10 12/20/1089 4.4.3.1 Requirements for Data Provenance 11/6/09 7/2/1092 4.4.5 Documentation Librarian 1/7/11 3/18/1194 4.5 CTRL Resources 6/1/06 5/31/1195 4.5.0 Computing Infrastructure 9/1/06 6/2/10102 4.5.1 CTRL Sysadmin Support 6/1/06 5/31/11108 4.5.2 CTRL Materials/Supplies 6/1/06 5/31/11114 4.5.3 CTRL Travel 6/1/06 5/31/11120 4.5.4 Maintenance and Updates 6/1/06 5/31/11121 4.5.4.a Bayesian Analysis Requirements for Optimization F 5/1/07 11/1/07123 4.5.4.b Requirements for Event Handling within Optimizati 10/1/08 11/20/09126 4.5.4.c pyre Framework Language Update 11/13/08 11/2/09129 4.5.4.d Backport of Framework Updates 1/12/09 12/6/10133 4.5.4.x Maintenance and Updates 6/1/06 5/31/1145 4 DIFF 6/1/06 5/31/111 5.4.3 Basic Numerical Transformations 8/15/08 9/12/082 5.4.3.1 Analytical Functions 8/15/08 9/12/084 5.4.5 Crystallography 6/2/08 8/30/105 5.4.5.0 Crystallography 6/2/08 9/1/087 5.4.5.1 Bindings to cctbx 9/3/08 5/29/099 5.4.5.2 Bindings to FOX 8/6/09 4/2/1011 5.4.5.5 Bindings to ObjCryst++ 12/3/09 8/30/1014 5.4.6 Molecular Viewers and Format Translators 9/1/06 12/2/1015 5.4.6.0 Molecular and Crystal Structure Viewer 11/10/06 6/1/0718 5.4.6.1 Bindings to CIF Reader 6/6/07 4/6/0921 5.4.6.3 Bindings to PyMol 9/1/06 10/4/0623 5.4.6.4 Advanced Molecular and Crystal Structure Viewer 8/4/10 12/2/1025 6.1.1 Powder Diffraction Reduction 5/1/07 5/18/1126 6.1.1.1 Powder Diffraction Reduction Drivers 5/31/10 2/24/1129 6.1.1.2 Powder Diffraction Reduction Corrections 5/1/07 5/18/1132 6.1.2 Single Crystal Diffraction Reduction 4/1/10 4/26/1133 6.1.2.1 Single Crystal Diffraction Reduction Drivers 4/1/10 4/26/1136 6.1.2.2 Single Crystal Diffraction Reduction Corrections 6/1/10 2/25/1138 6.1.3 SNS Neutron Diffractometers 6/2/08 5/24/1139 6.1.3.0 Extension to POWGEN3 Reduction 6/2/08 12/29/0841 6.1.3.1 Support for POWGEN3 6/10/09 12/7/0943 6.1.3.2 Support for NOMAD 7/5/10 1/28/1145 6.1.3.3 Support for SCD 11/25/10 5/24/1147 6.1.3.4 Support for Refinements on VULCAN 3/25/11 5/24/1149 6.1.4 Existing Neutron Diffractometers 12/7/09 7/2/1050 6.1.4.2 Support for NPDF 12/7/09 7/2/1053 6.2.0 Model Refinement I 10/5/07 5/27/1154 6.2.0.0 Diffpy Module Component Library 10/5/07 11/28/0857 6.2.0.1 Joint Model Refinement 7/13/09 4/1/1160 6.2.0.2 Real-space Model Refinement 5/5/10 12/1/1063 6.2.0.3 Reciprocal-space Model Refinement 11/1/10 5/27/1165 6.2.1 Model Refinement II 10/2/06 5/5/1066 6.2.1.0 DiffPy Scripting Library 10/7/09 5/5/1068 6.2.1.1 Basic Joint Model Refinement 1/7/08 5/29/0971 6.2.1.2 Basic Real-Space Model Refinement 8/20/07 3/23/0974 6.2.1.3 Basic Reciprocal Space Model Refinement 4/4/08 3/24/0977 6.2.1.4 Bindings to PDFFIT2 10/2/06 10/26/0780 6.2.1.5 Bindings to FullProf 5/10/07 8/1/0884 6.2.1.6 Bindings to GSAS 12/1/08 10/27/0987 6.2.2 Extensions to Analytic Functions 12/3/08 3/30/1088 6.2.2.1 Extensions to Analytic Background and Profile Function 8/5/09 2/1/1090 6.2.2.2 Extensions to Analytic Regression Constraints 12/1/09 3/30/1092 6.2.2.3 Extensions to Regression Algorithms 12/3/08 7/31/0995 6.2.3 Model-Independent Peak Fitting 3/30/09 11/25/0998 6.2.4 Refinement Extensions 6/4/09 5/31/1199 6.2.4.1 Magnetic Refinement 6/4/09 5/31/10101 6.2.4.2 Refinement of Incommensurate Structures 11/2/10 5/31/11103 6.2.5 Regression Constraints 1/7/08 2/6/09104 6.2.5.1 Adaptors for Regression Algorithms 1/10/08 2/3/09107 6.2.5.2 Adaptors for Regression Constraints 1/7/08 2/6/09110 6.2.6 Refinement Support Applications 7/2/07 4/8/11111 6.2.6.1 Bond Valence-Sum Calculator 10/5/09 5/31/10113 6.2.6.2 Calculate Partial PDFs of Model Configurations 7/2/07 11/28/07115 6.2.6.3 Advanced Calculations of Partial PDFs 12/13/10 4/8/11117 6.2.7 Refinement Applications 9/14/06 7/21/10118 6.2.7.2 Model Refinement VPE 3/30/09 7/21/10122 6.2.7.3 Real-Space Model Refinement Launcher 1/15/07 11/9/07125 6.2.7.4 Real-Space Model Refinement UI 9/14/06 5/1/07128 6.2.7.5 Reciprocal-Space Model Refinement Launcher 7/13/07 12/10/07130 6.2.7.6 Reciprocal-Space Model Refinement UI 2/2/07 8/25/08134 6.2.8 Refinement Data Structures 7/2/07 2/25/11135 6.2.8.1 Refinement Data Objects 7/2/07 12/28/07137 6.2.8.2 Refinement Database Interface 10/11/10 2/7/11139 6.2.8.3 Automated Feedback Refinement Control 3/4/08 2/27/09142 6.2.8.4 Crystallographic Indexing 5/31/10 2/25/11145 6.3.1 DIFF Instrument Simulation 9/8/08 4/7/10146 6.3.1.1 Sample Cross-Section Optimization Launcher 9/9/09 4/7/10148 6.3.1.3 Diffraction Instrument Simulation Application 9/8/08 6/4/09150 6.3.1.4 Diffraction Scattering Kernels 7/13/09 1/7/10152 6.3.x Maintenance and Updates 6/1/06 5/31/11158 6.4 DIFF Resources 6/1/06 5/31/11159 6.4.1 DIFF Admin Support 6/1/06 5/31/11165 6.4.2 DIFF Materials/Supplies 6/1/06 5/31/11171 6.4.3 DIFF Travel 6/1/06 5/31/11177 11.2.1 DIFF Education & Outreach 6/2/09 5/31/10182 11.3.4 DIFF Minority Student Research 6/1/06 5/31/11

M J J A S O N D J F M A M J J A S O N D J F M A M J J A S O N D J F M A M J J A S O N D J F M A M J J A S O N D J F M A M J2H06 1H07 2H07 1H08 2H08 1H09 2H09 1H10 2H10 1H11

Task Split Progress Milestone Summary Project Summary External Tasks External Milestone Deadline

Page 1

Project: Date: 5/28/09

ID WBS Task Name Start Finish

0 0 6/1/06 5/31/111 7 ENDG 6/1/06 5/31/111 5.2.1 Texture Analysis 5/12/08 8/26/095 7.0 Engineering Applications 5/1/07 4/1/116 7.0.1 Data Analysis Interface 10/30/07 4/1/1110 7.0.2.0 Mechanics Modeling Interface 5/1/07 11/21/0814 7.0.2.1 FEA Interface 2/1/10 2/25/1117 7.0.2.2 SCM Interface 2/1/10 2/25/1120 7.0.3 Texture Analysis Interface 5/19/08 9/7/0924 7.0.4 Experiment Simulation Interface 10/1/08 10/26/0927 7.0.5.0 Expert User 4/12/10 3/7/1130 7.0.5.1 Knowledge Base Interface for FEA 12/8/08 10/2/0933 7.0.5.2 Knowledge Base Interface for SCM 8/10/09 6/4/1035 7.1 Experiment Support 5/13/08 5/25/1036 7.1.1 Experiment Planning and Setup 11/3/08 5/25/1039 7.1.2 Data Monitoring and Assessment 5/13/08 4/26/1043 7.2 Mechanical Modeling 9/1/06 4/29/1144 7.2.0 Modeling Drivers 10/2/06 12/24/0848 7.2.1.1 FEA with ABAQUS 9/1/06 6/1/0751 7.2.1.2 I/O for Finite Element Analysis 10/2/06 6/1/0754 7.2.1.3 3-D FEA 4/15/09 6/9/1058 7.2.1.4 Advanced FEA Model Template 1/6/10 3/2/1161 7.2.1.5 Extensions to FEA Model Input 6/3/10 4/29/1163 7.2.2.1 Self-Consistent Modeling 9/21/06 12/15/0867 7.2.2.2 Self-Consistent Modeling with Advanced Engines 2/5/09 4/30/1070 7.2.3.0 Inverse Problem Analysis for FEA 1/1/07 3/26/0873 7.2.3.1 Inverse Problem Analysis for SCM 12/1/08 1/25/1076 7.2.4.1 Knowledge Database for FEA 12/1/08 7/27/0979 7.2.4.2 Knowledge Database for EPSC 8/3/09 4/28/1081 7.2.4.3 Knowledge Database for SCM 10/7/09 7/5/1084 7.3.1 Instrument Simulation 10/30/07 5/27/1085 7.3.1.0 Engineering Simulation 10/30/07 11/24/0888 7.3.1.1 Support for SMARTS 10/30/07 7/21/0992 7.3.1.2 Support for VULCAN 1/2/09 5/27/1095 7.3.2 Materials Simulation 3/17/08 10/8/0996 7.3.2.0 Sample Assembly and Sample Geometry 3/17/08 10/8/09100 7.3.2.1 Single Crystal Kernel 9/29/08 6/26/09103 7.3.2.2 Polycrystalline Kernel 9/1/08 9/25/09106 7.4 ENGD Resources 6/1/06 5/31/11107 7.4.0 Maintenance and Updates 6/1/06 5/31/11113 7.4.1 ENGD Admin Support 6/1/06 5/31/11119 7.4.2 ENGD Materials/Supplies 6/1/06 5/31/11125 7.4.3 ENGD Travel 6/1/06 5/31/11131 7.4.4 ENGD Subawards 6/1/06 5/31/11137 11.3.5 ENGD Minority Student Research 6/1/06 5/31/112 8 SANS 6/1/06 5/31/111 8.1.1 Powder SANS Data Reduction 9/25/09 7/27/102 8.1.1.1 Powder SANS Reduction Drivers 9/25/09 1/28/104 8.1.1.2 Powder SANS Reduction Corrections 1/29/10 7/27/107 8.1.2 Single Crystal SANS Data Reduction 7/28/10 5/24/118 8.1.2.1 Single Crystal SANS Reduction Drivers 7/28/10 12/30/1010 8.1.2.2 Single Crystal SANS Reduction Corrections 1/3/11 5/24/1112 8.1.3 SNS SANS Instruments 2/2/09 10/23/0913 8.1.3.1 Support for EQ-SANS 2/2/09 10/23/0916 8.1.4 Existing SANS Instruments 7/1/08 4/24/0917 8.1.4.0 Reduction for HFIR Instruments 11/17/08 2/13/0919 8.1.4.1 Reduction for NIST Instruments 7/1/08 12/25/0821 8.1.4.2 NIST Instrument Descriptions for Simulation 8/1/08 4/24/0923 8.1.5 Instrument Simulation 2/3/09 8/16/1024 8.1.5.1 Experiment Planning and Optimization Tools 2/3/09 5/25/0926 8.1.5.2 Monte-Carlo Simulation of SANS Experiments 5/26/09 1/4/1029 8.1.5.3 Molecular Dynamics SANS Scattering Kernel 1/5/10 8/16/1032 8.1.6 SANS Manual 11/8/10 5/31/1134 8.2 SANS Models 9/13/06 6/4/1035 8.2.0 Interface with Community Software 9/6/07 2/8/0837 8.2.1 Standard, Non-Shape Driven Analysis 2/19/08 6/23/0840 8.2.2 Basic 1D Modeling 9/13/06 6/25/0743 8.2.3 Basic 2D Modeling 5/1/07 9/3/0745 8.2.4 Inversion of P(r) 3/24/08 10/13/0848 8.2.5 Series Analysis and Simultaneous Fitting 2/1/10 6/4/1051 8.2.6 1D & 2D Model Extensions 9/4/07 2/18/0853 8.3 SANS Model Fitting 7/3/06 9/2/0954 8.3.1 Simulation of Real-Space Models 7/3/06 9/7/0757 8.3.2 2D Model Simulation of Real-Space Models 6/15/07 1/24/0859 8.3.3 Constrained Fitting 10/27/08 1/12/0961 8.3.4 Ab initio Modeling 5/14/09 9/2/0964 8.4.1 SANS Interface Design 2/1/07 1/6/1065 8.4.1.1 SANS Modeling Application 6/18/07 1/11/0867 8.4.1.2 Advanced SANS Modeling Application 1/15/08 1/5/0970 8.4.1.3 Experiment Planning Interface Design 1/8/09 1/6/1073 8.4.1.4 Real-Space Model Interface Design 2/1/07 6/15/0776 8.4.2 SANS Analysis Applications 3/3/08 5/31/1177 8.4.2.1 Model Fitting Analysis Launcher 6/17/08 4/20/0979 8.4.2.2 Model-Independent Analysis Launcher 4/21/09 2/26/1082 8.4.2.3 Experiment Planning Launcher 3/1/10 2/18/1185 8.4.x Maintenance and Updates 3/3/08 5/31/1190 8.5 SANS Resources 6/1/06 5/31/1191 8.5.1 SANS Admin Support 6/1/06 5/31/1197 8.5.2 SANS Materials/Supplies 6/1/06 5/31/11103 8.5.3 SANS Travel 6/1/06 5/31/11109 11.3.3 SANS Minority Student Research 6/1/06 5/31/113 9 REFL 6/1/06 5/31/111 5.2.2.1 SLD Calculator 7/1/08 11/28/083 5.2.2.2 Advanced SLD Calculator 7/1/09 1/27/105 5.4.1 Data Archiving 10/5/09 4/29/116 5.4.1.5 Data Comparator 10/5/09 5/3/108 5.4.1.6 Data Catalog 12/1/10 4/29/1110 5.4.1.7 Data Archive 8/2/10 11/29/1012 5.4.2 Optimization 10/13/06 5/31/1013 5.4.2.0 Fitting UI 10/13/06 11/7/0716 5.4.2.1 Optimization Framework 2/26/07 3/24/0819 5.4.2.2 Bindings to Common Optimization Algorithms 2/26/07 10/23/0722 5.4.2.3 Bindings to Advanced Optimization Algorithms 2/7/08 5/29/0925 5.4.2.4 Bindings to FurtherOptimization Algorithms 2/2/10 5/31/1027 5.4.2.5 Bindings to Uncertainty Algorithms 2/5/09 6/5/0930 5.4.2.6 Optimization Framework Models and Model API 8/25/08 12/23/0832 5.4.2.7 Optimization Framework Services and Service API 9/22/08 1/19/0934 5.4.2.8 Serializer 12/8/08 3/6/0936 5.4.2.9 Fit Job Scheduler and Mapper 12/1/08 3/31/0938 5.4.2.10 Fitting UI Panels and Widgets 9/5/08 10/30/0941 9.1 Data Reduction 12/14/06 5/31/1142 9.1.1.1 Data Reduction Transformations 12/14/06 8/8/0846 9.1.1.2 Data Reduction 8/23/10 5/31/1148 9.1.2.1 Data Reduction Corrections 9/5/07 8/29/0851 9.1.2.2 Advanced Reduction Corrections 12/15/10 5/31/1153 9.1.3 Direct Inversion 6/1/09 3/26/1055 9.1.4 Reflectometry Reduction Application 6/1/09 8/25/1058 9.1.5 Reflectometry Reduction Launcher 6/30/08 11/27/0860 9.1.6 SNS Neutron Reflectometers 9/3/09 10/27/1061 9.1.6.1 Support for LR 9/3/09 4/30/1063 9.1.6.2 Support for MR 3/1/10 10/27/1066 9.1.7 Existing Neutron Reflectometers 9/3/10 5/30/1167 9.1.7.1 Support for NG7 9/3/10 3/2/1169 9.1.7.2 Support for AND/R 12/1/10 5/30/1171 9.2 Reflectometry 1D Modeling 5/15/07 5/7/1072 9.2.1.1 Basic 1D Models 5/15/07 4/25/0875 9.2.1.2 Advanced 1D Models 6/4/09 10/30/0977 9.2.2.1 Basic 1D Analysis 9/3/07 10/24/0880 9.2.2.2 Extended 1D Analysis 1/5/09 10/30/0983 9.2.3.1 Basic 1D Analysis UI 7/25/07 5/20/0885 9.2.3.2 1D Analysis Application 10/9/09 5/7/1087 9.3.0 Experiment Planning 6/1/10 5/27/1188 9.3.0.1 Experiment Planning Application 6/1/10 5/27/1190 9.3.1 Reflectometry 3D Modeling 1/5/09 5/27/1191 9.3.1.1 3D Models 1/5/09 11/30/0994 9.3.1.2 3D Model Builder 6/4/09 3/1/1096 9.3.1.3 Reflectometry Scattering Kernel 12/1/09 5/28/1098 9.3.1.4 3D Analysis Application 10/5/09 5/27/11101 9.3.2 Off-Specular Reflectometry 10/16/06 9/2/10102 9.3.2.1 Off-Specular Modeling 10/16/06 3/12/10107 9.3.2.2 Off-Specular Analysis Application 6/3/08 9/2/10111 9.3.3 Instrument Effects 4/5/10 3/1/11114 9.3.4 Bindings to OOMMF 1/1/10 5/31/10116 9.3.5 Bindings to GROMACS 1/3/11 5/31/11118 9.3.X Maintenance and Updates 11/1/07 5/31/11123 9.4 REFL Resources 6/1/06 5/31/11124 9.4.1 REFL Admin Support 6/1/06 5/31/11130 9.4.2 REFL Materials/Supplies 6/1/06 5/31/11136 9.4.3 REFL Travel 6/1/06 5/31/11142 11.3.2 REFL Minority Student Research 6/1/06 5/31/11

M J J A S O N D J F M A M J J A S O N D J F M A M J J A S O N D J F M A M J J A S O N D J F M A M J J A S O N D J F M A M J2H06 1H07 2H07 1H08 2H08 1H09 2H09 1H10 2H10 1H11

Task Split Progress Milestone Summary Project Summary External Tasks External Milestone Deadline

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Project: Date: 5/28/09

ID WBS Task Name Start Finish

0 0 INS 6/1/06 5/31/111 5.1.1 Basic Data Reduction 6/1/07 5/30/112 5.1.1.0 Single Crystal Data Reduction 1/5/10 5/30/115 5.1.1.1 Polycrystal Data Reduction 6/1/07 12/22/088 5.1.1.2 Measurement 5/1/08 8/29/0811 5.1.1.2.b Measurement for Elastic Scattering 5/20/10 5/16/1114 5.1.2 Advanced Data Reduction 5/20/08 5/25/1015 5.1.2.1 Advanced Data Reduction 5/20/08 11/11/0919 5.1.2.2 Reduction Corrections 11/3/08 5/25/1022 5.3.1 Instrument Simulation 6/1/06 5/30/1123 5.3.1.1 Monte-Carlo Instrument Simulation Framework 6/1/06 1/26/0725 5.3.1.2 Bindings to McStas 6/1/06 8/30/0627 5.3.1.4 Bindings to VITESS 1/31/11 5/30/1129 5.3.2 Sample Simulation 6/1/06 2/27/0930 5.3.2.1 Sample Simulation Framework 6/1/06 3/28/0732 5.3.2.2 Coherent Elastic Scattering Kernel(s) 9/1/08 2/27/0934 5.3.3 Solid-State Simulation 5/1/07 5/27/1135 5.3.3.0 Solid-State Materials Simulation 6/1/10 5/27/1137 5.3.3.1 Bindings to Abinit 3/2/09 11/26/0940 5.3.3.2 Bindings to VASP 5/1/07 5/31/1043 5.3.4 Hartree-Fock Simulations 5/22/08 5/28/1044 5.3.4.0 Hartree-Fock Materials Simulation 2/2/09 4/27/1047 5.3.4.1 Bindings to GAMESS 4/1/09 4/26/1050 5.3.4.2 Bindings to NWChem 12/1/08 11/26/0953 5.3.4.3 Bindings to FIREBALL 5/22/08 5/28/1057 5.3.5 Molecular Dynamics Simulations 2/1/07 3/27/0858 5.3.5.0 Molecular Dynamics Materials Simulation 2/1/07 1/25/0861 5.3.5.4 Bindings to MMTK 3/1/07 8/28/0764 5.3.5.5 Bindings to GULP 7/2/07 3/27/0866 5.3.6 Scattered Intensity 12/1/08 7/29/0969 5.4.1 Data Structures 6/1/06 5/25/1170 5.4.1.1 Reduction Data Structures 2/1/07 7/25/0874 5.4.1.2 Experiment Metadata Containers 6/1/06 12/21/0777 5.4.1.2.b Elastic Experiment Metadata Containers 5/25/10 10/22/1080 5.4.1.3 Common Array Manipulations 4/2/07 8/22/0883 5.4.1.4 Advanced Array Manipulations 12/1/09 5/25/1186 5.4.1.8 Database Accessor 4/2/08 2/28/1190 5.4.3 Basic Numerical Transformations 6/1/09 3/26/1091 5.4.3.0 Numerical Libraries 6/1/09 11/27/0993 5.4.3.2 Common Scattering Functions 7/1/09 3/26/1095 5.4.4 Error Propagation Algorithms 10/1/10 5/27/1197 5.4.5 Crystallography 2/1/07 3/3/1198 5.4.5.6 Crystal Structure Container Class 2/1/07 4/25/08101 5.4.5.6.b Advanced Crystal Structure Container 9/9/09 3/3/11104 5.4.6 Molecular Viewers and Format Translators 4/1/08 9/28/10105 5.4.6.2 Bindings to Molden 6/1/09 11/27/09107 5.4.6.6 Bindings to VMD 12/1/09 5/28/10109 5.4.6.7 Molecular & Crystal Structure Format Translator 4/1/08 9/28/10114 5.4.6.8 Crystallographic Database Accessor 5/1/08 8/29/08117 5.4.7 Analysis Support Applications 7/3/06 12/27/10118 5.4.7.1 Histogram Viewer 7/3/06 6/26/07121 5.4.7.2 Instrument Builder 3/1/07 5/23/08124 5.4.7.2.b Portal Interface to Instrument Builder 6/1/09 1/27/10126 5.4.7.3 Sample Builder 5/1/08 8/29/08129 5.4.7.3.b Portal Interface to Sample Builder 11/10/08 7/2/10133 5.4.7.4 Structure Builder 6/3/08 12/30/08135 5.4.7.4.b Portal Interface to Structure Builder 4/1/10 12/27/10138 5.4.7.5 Molecular Format Translator 5/22/08 9/19/08141 5.4.8 Sample Materials Applications 5/29/08 2/23/11142 5.4.8.1 Materials Simulation Launcher 5/29/08 3/19/10146 5.4.8.2 Sample Dynamics Launcher 6/1/09 8/25/10149 5.4.8.3 Structure Dynamics Launcher 9/1/09 2/23/11152 5.5.0 Maintenance & Updates 6/1/06 5/31/11153 5.5.0.a Extensions to Distutils 11/1/06 8/28/07156 5.5.0.b Geometric Shape Library 2/1/07 10/29/07159 5.5.0.c Elastic Constant Calculator 5/1/07 5/20/11162 5.5.0.d Portal Interface for Fireball & GULP 9/5/08 5/1/09164 5.5.0.e Standard Graphical/Plotting Environments 9/3/07 3/19/09167 5.5.0.f Portal Interface for Additional MD / Qchem Codes 5/10/10 12/3/10170 5.5.0.g Polycrystalline Averager Kernel 1/5/09 6/4/09173 5.5.0.h Geometric Shape Renderer 7/17/09 4/13/10175 5.5.0.x Maintenance & Updates 6/1/06 5/31/11181 5.10.0 Maintenance & Updates II 5/1/07 5/31/11182 5.10.0.a Excitation Slicer 5/1/07 5/20/10185 5.10.0.b Portal Interface for Phonon SQE Kernel 10/1/09 5/28/10187 5.10.0.c Portal Interface for MD SQE Kernels 5/4/09 12/28/09190 5.10.0.d Magnetic Susceptibility Kernel 12/20/10 5/19/11192 5.10.0.e ARCS Reduction GUI 9/11/08 12/10/08194 5.10.0.f Portal Interface to ARCS Simulation 9/22/08 3/20/09196 5.10.0.g Portal Interface to Pharos Simulation 1/15/09 6/15/09199 5.10.0.h Portal Interface to Sequoia Simulation 7/13/09 12/8/09201 5.10.0.i Portal Interface to Pharos Reduction 2/3/09 8/3/09204 5.10.0.j Portal Interface to ARCS Reduction 7/8/09 3/5/10206 5.10.0.k Extension to ARCS Simulations 1/5/10 10/4/10209 5.10.0.l Portal Interface to Sequoia Reduction 12/2/09 5/31/10211 5.10.0.m Portal Interface to CNCS Simulation 7/12/10 12/8/10213 5.10.0.n Portal Interface to CNCS Reduction 6/3/10 10/29/10215 5.10.0.o Portal Interface to Backscatterer Reduction 10/11/10 3/10/11217 5.10.0.p Portal Interface to Backscatterer Simulation 11/11/10 4/8/11219 5.10.0.q Portal Interface to Hyspec Reduction 1/3/11 5/31/11221 5.10.0.r Portal Interface to Hyspec Simulation 1/3/11 5/31/11223 5.10.0.s Extension to Pharos Simulations 2/23/11 5/24/11225 5.10.0.t Portal Interface to BvK Lattice Dynamics 9/15/08 1/9/09227 5.10.0.u Extension to BvK Lattice Dynamics 7/13/09 9/3/10230 5.10.0.v Multiphonon Correction Application 1/6/09 9/3/09233 10.1.0 INS Data Reduction 6/1/07 5/30/11234 10.1.0.0 Single Crystal Inelastic Reduction Drivers 6/1/09 2/21/11237 10.1.0.1 Polycrystal Inelastic Reduction Drivers 6/1/07 3/27/08239 10.1.0.2 Inelastic Reduction Corrections 6/1/07 7/25/08242 10.1.0.2.b Advanced Inelastic Reduction Corrections 12/1/10 5/30/11244 10.1.1 SNS INS Direct Geometry Chopper Spectrometers 6/2/08 3/8/10245 10.1.1.1 Support for CNCS 9/9/09 3/8/10247 10.1.1.2 Support for SEQUOIA 6/1/09 9/29/09249 10.1.1.3 Support for ARCS 6/2/08 8/29/08251 10.1.2 Other SNS INS Spectrometers 4/2/10 5/30/11252 10.1.2.1 Support for HYSPEC 12/1/10 5/30/11254 10.1.2.2 Support for Backscatterer 4/2/10 9/29/10257 10.1.3 Existing INS Spectrometers 8/1/06 6/29/07258 10.1.3.1 Support for Pharos 8/1/06 3/29/07260 10.1.3.2 Support for LRMECS 11/1/06 6/29/07263 10.1.4 Bindings to Mslice 8/1/07 10/24/08266 10.1.5 Inelastic Reduction GUI Builder 11/1/06 5/30/07269 10.2.0 Inelastic Dynamics 5/1/07 2/25/11270 10.2.0.0 Crystal Structure Deformations 5/1/07 2/25/11275 10.2.0.1 Lattice Dynamics 6/2/08 5/27/09277 10.2.0.2 Spin Dynamics 12/7/09 1/28/11280 10.2.1 Neutron Weight Correction 6/2/08 2/22/10283 10.2.2 Q Information in Coherent Inelastic Scattering Data 12/1/08 5/20/11287 10.2.3 Separation of Nuclear and Spin Scattering 12/1/09 8/27/10290 10.2.4 Chemical Spectroscopy 6/1/07 5/22/09291 10.2.4.0 Chemical Spectroscopy Dynamics 8/1/07 5/22/09294 10.2.4.1 Squires Phonon Scattering Kernels 5/23/08 3/19/09297 10.2.4.2 Extension to nMOLDYN 6/1/07 11/21/08300 10.2.5 Chemical Spectroscopy Pre/Post Processing 10/1/09 6/28/10303 10.2.6 Debye-Waller Factor Calculator 6/2/08 1/26/09305 10.2.7 Interatomic Force Constants 4/2/07 5/27/11306 10.2.7.0 Interatomic Force Constant Calculator 6/1/07 5/27/11310 10.2.7.1 Extension to Phon 4/2/07 6/1/10313 10.3.1 Scattering Kernels 6/1/06 12/22/09314 10.3.1.1 Coherent Inelastic Scattering Kernel 6/1/06 10/27/06316 10.3.1.1.b Extension to Inelastic Scattering Kernels 2/4/09 8/3/09319 10.3.1.2 Incoherent Inelastic Scattering Kernel 6/1/06 10/27/06321 10.3.1.3 G(r,t) from Individual Neutron Scatterings 4/1/08 11/20/09325 10.3.1.4 G(r,t) from Dynamics Simulation 2/1/08 12/22/09329 10.3.2 Scattering Corrections 6/2/08 2/25/10330 10.3.2.1 Multiple Scattering 4/1/09 2/25/10333 10.3.2.2 Multiphonon Scattering 6/2/08 11/23/09336 10.3.3 Disordered Spin Dynamics 3/1/10 5/25/11339 10.3.4 Inelastic Instrument Simulation Launcher 2/1/07 3/27/08342 10.4 INS Resources 6/1/06 5/31/11343 10.4.1 INS Admin Support 6/1/06 5/31/11349 10.4.2 INS Materials/Supplies 6/1/06 5/31/11355 10.4.3 INS Travel 6/1/06 5/31/11361 11.1.0 Experimental Neutron Scattering Textbook 6/1/06 5/30/08364 11.3.1 INS Minority Student Research 6/1/06 5/31/11

M J J A S O N D J F M A M J J A S O N D J F M A M J J A S O N D J F M A M J J A S O N D J F M A M J J A S O N D J F M A M J2H06 1H07 2H07 1H08 2H08 1H09 2H09 1H10 2H10 1H11

Task Split Progress Milestone Summary Project Summary External Tasks External Milestone Deadline

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Project: INSDate: 5/28/09