| Key | Value |
|---|---|
| FileSize | 9736004 |
| MD5 | 2D27E0E0259B3579B3F4E58D460768AC |
| PackageDescription | Quantum Chemical Program Suite (data files) PSI4 is an ab-initio quantum chemistry program. It is especially designed to accurately compute properties of small to medium molecules using highly correlated techniques. PSI4 is the parallelized successor of PSI3 and includes many state-of-the-art theoretical methods. . This package contains data files and the HTML documentation. |
| PackageMaintainer | Debichem Team <debichem-devel@lists.alioth.debian.org> |
| PackageName | psi4-data |
| PackageSection | science |
| PackageVersion | 1:1.0-1 |
| SHA-1 | 951A0C75B0F0DD934FD7DFBADA7A35E4FEED045D |
| SHA-256 | 4D687B5F418D599605218D187FCE8ACBA89073F95B47ED1DE110A3CBE33690FB |
| hashlookup:children-total | 6633 |
| hashlookup:trust | 50 |
The searched file hash includes 6633 children files known and seen by metalookup. A sample is included below:
| Key | Value |
|---|---|
| FileName | ./usr/share/psi/quadratures/1_x/1_xk12_3E2 |
| FileSize | 1374 |
| MD5 | 7ECFD428FAE9290E18A71F964A33BBA2 |
| SHA-1 | 0012A34DC1D3772DA800AF2A735E1A49088E5A76 |
| SHA-256 | FF82DC792DEA7EBCEBC0C03034E4E55D2F0A6152EB708867E651D2ED2EFE192A |
| SSDEEP | 24:IcM5sh6yzFF/iyQFRfotnODmBQiKTyARb3IKhd8y5ckpLkSIudjbBb2r:BM5+1zFFL4KtnODmytyib35hGy5RIMpW |
| TLSH | T1CF21ACB421AC56B43DBC6355E139953258BBA0FF7C4A46F44BD223D489260C39AACA0D |
| Key | Value |
|---|---|
| FileName | ./usr/share/psi/quadratures/1_x/1_xk17_9E1 |
| FileSize | 1954 |
| MD5 | 0DA416DEE5A8D792242BB8A88742AAB7 |
| SHA-1 | 001901A4D8B73F92DBC0342D9F3111D9D7CEE67D |
| SHA-256 | 3452490AF391F030EB261B64B46855CFC36695AA519657B6902F6322451B6833 |
| SSDEEP | 48:Y7hpE8Bs9BxNLUjMGqMCezNkb4A1qTnvh29F/oxSXC:UvEsuFUAGeU3h2jUSS |
| TLSH | T1A341D0B8158C52F93CBE9777F239A0B525A350B6BC4A0EE40BC167C495722C25FD6A0E |
| Key | Value |
|---|---|
| FileName | ./usr/share/doc/psi4/html/autodir_options_c/adc__norm_tolerance.html |
| FileSize | 6759 |
| MD5 | B678137B9B0F47554D2FC309915790C0 |
| SHA-1 | 004B3099A9BBCC436D516818515C64C85D298C51 |
| SHA-256 | 81127C07C0EA03CB83B387B23C8C66F309149DCEFD548ED0768FE121BABB1F51 |
| SSDEEP | 96:XffN4x4PD9Wjq/SBY7LObCLJo7LI2hPDPjbFUW:nWaZNaBDbCa7L9hz/ |
| TLSH | T136D155164CF19DA3425785D6F8F4E229BC82C18BC245AD0871EC2AAD9FC2F588D57B4E |
| Key | Value |
|---|---|
| FileName | ./usr/share/doc/psi4/html/autodir_options_c/efp__efp_disp_damping.html |
| FileSize | 6871 |
| MD5 | 81FCFCC02022F2E4FAB87D5D94A2F5B6 |
| SHA-1 | 005372F504AFA182AACE383D4108301842C08F84 |
| SHA-256 | 3EDF860F326E37868500FDB7DBAE704F2C37FBB0719DEA05D1695E5BB5792C20 |
| SSDEEP | 96:XffNTmi4PD9WjpjeAyBLObCmvyQYLZCLK2hPDPjqJCW:nFmbZ2CAyobCnCLbhyB |
| TLSH | T1C3E166164CF199A74257C5E6F8F4A22ABC86C19BC1056D0874EC6B6D8F82F488D27F4E |
| Key | Value |
|---|---|
| FileName | ./usr/share/doc/psi4/html/_images/math/0d2a1658aeb89d900c6e45fe3bc0d96960005479.png |
| FileSize | 961 |
| MD5 | F5E344EF58FD6E4ECC886844400CA960 |
| SHA-1 | 005465AA88D8F73062F5517B2D4514A4FE69893F |
| SHA-256 | 8C8A36289415D777FB16F489FDFA081D799209914A00A4BF8E7F5C371C871D43 |
| SSDEEP | 12:6v/7/iIyuh3tsa7CUiGcfMelgeG/n9D9VJcHXR94/yckD3yGjfuBi9aNmTaVWMSe:kyuhtFiYTD9VJc3RW+3DjX9aNX8Zu |
| TLSH | T13F11E6C7E2CA8FDCC9C6C379E33891918222F1EE9ECB069BA0610F1078C0CC581080D7 |
| Key | Value |
|---|---|
| FileName | ./usr/share/doc/psi4/html/sphinx/_sources/autodir_options_c/ccenergy__abcd.txt |
| FileSize | 195 |
| MD5 | D4768830A8F8EFD6BCA1C7005B6AB9F3 |
| SHA-1 | 0059A68E22FF17F15E1513CFA7AEA4F2CB55F691 |
| SHA-256 | 095781A4EC4F169B7866C445E6C35624B079A43A287795D4373C1A014BFED547 |
| SSDEEP | 3:VaJXO6d/9FKzEhFSILxB1X3PxJ3tS/9P1EMZ6tr3JF03PhmRfRgy3:IJ+6nwohFBLH13EAtr5FjRfG+ |
| TLSH | T1AED08C3BB8C8268408B32003A7CCC8C0B090582BD2AA2170FAFC00358B19BEAD523E0C |
| Key | Value |
|---|---|
| FileName | ./usr/share/doc/psi4/html/autodir_options_c/dcft__dcft_functional.html |
| FileSize | 6730 |
| MD5 | 967A03692017E02CE233BD0257B45A53 |
| SHA-1 | 006DD9352958980691878CB3E906AF9191525180 |
| SHA-256 | ED074A12BA8CC3DEA2431EB279DBD3019B637F097095101536286BC71B6DDA42 |
| SSDEEP | 96:XffNUAD4PD9WjaCJoHrLObC4rGLM2hPDPjFCnyW:nKFZ7nHGbC4CLJhtm |
| TLSH | T170D156135CF19DA7415785EAF8F4A639BCC2C18BD2066D0870EC26AD9F82F488D57B4E |
| Key | Value |
|---|---|
| FileName | ./usr/share/psi/quadratures/1_x/1_xk14_4E3 |
| FileSize | 1606 |
| MD5 | A9AA41307B609D02FA5BEC547DADB201 |
| SHA-1 | 0071656392F9902B8E83FB49D3FEC5EC64978857 |
| SHA-256 | A4BA94AB3D5E09187D59118D3071DFC7E1B759CA54C37D103E4EB42781121EC1 |
| SSDEEP | 48:+PaYk/jLW3q79MQuRl9ZmGXsbW76qWlnxpvtnH:iqLigklCGXsG61RtnH |
| TLSH | T1ED31F1B4158C91F938BDAB66F375583014B390786D865EE34FC167C58C431C6DED4906 |
| Key | Value |
|---|---|
| FileName | ./usr/share/doc/psi4/html/_sources/chemps2.txt |
| FileSize | 5265 |
| MD5 | 8A2804CC83A9B10A9278E457B3DE48C8 |
| SHA-1 | 00825AF5E493DC4330C1076D7D28991868AF6FBB |
| SHA-256 | CD3DC7B7EDA59D0724C9D57BFB0472B3D44FEDEA007CB6A9A9D52B0CA7EE3B07 |
| SSDEEP | 48:FWyxetvmQxdL487PfEdhmM1HIcHIx/FJhParYQC3D/ObysO+7O5O8OhOv4OvAOAG:tqxazKYdCz/ObyqkPo0v |
| TLSH | T1C4B1A8529F0C3A320FA2D7F360494158CAABF196A5340016B05DD3CED7FA3B9796F985 |
| Key | Value |
|---|---|
| FileName | ./usr/share/psi/efpfrag/2aminopyridine.efp |
| FileSize | 184198 |
| MD5 | E5495C2E42B7FF4F91053BB3B31209AA |
| SHA-1 | 00835D8B69DE5CB6A92A916DF7F852EBB6C02888 |
| SHA-256 | DC3B60CD069A71528FC3216384C5E8FA9F5370F7AE4A7A6715292EE2C211B43F |
| SSDEEP | 1536:+UV+3Gu/ZYatsC6olIAfFNaHO2SDZuu0yq6gp3+0CBTdB4+lTYJk+GMYd5whja4B:89lTiGDqFf9HATRfqZrM3ghKW3 |
| TLSH | T18A0441E313B6A0D1A22B88A3DC1726553D3E70BF8BDE384A31EC99C46F75551BBC8464 |