| Key | Value |
|---|---|
| FileSize | 3965064 |
| MD5 | 8B3E73621CE95BC45665E63E4970202E |
| 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 | Ubuntu Developers <ubuntu-devel-discuss@lists.ubuntu.com> |
| PackageName | psi4-data |
| PackageSection | science |
| PackageVersion | 1:1.3.2-3build3 |
| SHA-1 | 3BE901847F0B8E588FD8E34E2CBEAF6B1C1E0C16 |
| SHA-256 | 9077385B5541169853C5215F4984E0A34358742D6E289264C1C26743E857D765 |
| hashlookup:children-total | 3958 |
| hashlookup:trust | 50 |
The searched file hash includes 3958 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/psi4/samples/serial-wfn/test.in |
| FileSize | 874 |
| MD5 | EA0854955F8AF1607644520814114EB9 |
| SHA-1 | 0034A47D11D8F6732931598A0A8C01EF0DE903BF |
| SHA-256 | A1291999B7D311706E5317E7648F5DD95F71437B23DE0A2BB4884C0B842A511F |
| SSDEEP | 24:IlwnTiPEi3UHdjTmTDKmwBa0KduXf8yj+tmYKUY:IiiP7ij6TGnzEG+tb1Y |
| TLSH | T16811CC2F74A22722765344F4A4DFF3588A38B4491C28505AA80CF1B45834898539BCBC |
| 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/psi4/basis/primitives/corevalence-cc-pcv6z.gbs_old2010 |
| FileSize | 7586 |
| MD5 | 54BD2CA2E5FFB5AA1ED154B648730B62 |
| SHA-1 | 00930835734BAADD3D375DB0C851F651AD5C7B87 |
| SHA-256 | AE77BF480E2FE4F3790EBFD927C077B5B657C8EB9EDD0CAB1165CE22CA382914 |
| SSDEEP | 24:s6cVVRW/4ODa54bkwx8zX5DvbnNMxCSrrVb9jNi4F5H0IEOyCNfNW88kvP19sVQH:rrgOuCbrGzpY/nV3RU09k1wP23wVK4 |
| TLSH | T14CF110D7AA8A2850F57CCE705252731D060DB16BDCD72CE8B18CAB484BE3A880BDF417 |
| Key | Value |
|---|---|
| FileName | ./usr/share/psi/grids/cc-pVQZ-G_medium.grid |
| FileSize | 2677 |
| MD5 | 326AE5F5AEC5F98797354E479FF5E3B9 |
| SHA-1 | 0096E0F14CC5A3BBD3C9E79CF76660B37F7A05B9 |
| SHA-256 | 1E1AE21C5B7A7E87B0881E90588D0AF8962D9B888E6994CE1778C1B7864BFD47 |
| SSDEEP | 48:v5ekPESMGFMH6OG6kRVIpkEHiMOS9+eM/2k/gH5ZTmAehrht:BekPEvG667YiM95MXgZZD6 |
| TLSH | T12551DCE8153CB94C9877DFB0FE160182535434F24EBD9E4D753166B247C6DCA9B22748 |
| Key | Value |
|---|---|
| FileName | ./usr/share/psi4/samples/fd-freq-energy/test.in |
| FileSize | 3599 |
| MD5 | 02E51F0083F105C7B8C0AD78D127A490 |
| SHA-1 | 00A1E329953471E2A7A8DDE7890DB82733BDBE0E |
| SHA-256 | E2F246C9990F64DED9374D43C740538A2DC0AAF0C92463BCA9FBC66E9597654A |
| SSDEEP | 48:RhW/Jk9Q7CUtl5hXzYDt5hFzgTbiAXl5hXzzf/7sobvi50t9NQr6SXip75hFzgT3:AuQFI4XZ/7sE2gujs8 |
| TLSH | T14771BCE060C726B9D454A081DBE14E47F32BF91671E0E65BF2BEEA945B508840FB58B4 |
| Key | Value |
|---|---|
| FileName | ./usr/share/psi/basis/mar-cc-pcv5z.gbs |
| FileSize | 52892 |
| MD5 | FF1C880F6FDE03063C91566C0F7C0518 |
| SHA-1 | 00A6B2ACC305F16EC802A9A54F96B887FDB1BE41 |
| SHA-256 | DB86A3F9B590E2ACBC319C14CB2EFA58AD52A8B88F1C39A7FAD1A9A9F3453700 |
| SSDEEP | 384:IDe9oCDrJEPEW1EKR/9PrXr40tNUG0B6oW0d53bkqyVFzdg:IDCBsERKl9PrPeBl3bkqyVFxg |
| TLSH | T1583387D796893440F139CD7165A2721D862DB16BDCD72CE9B1CCAB888BE3B480EDF416 |
| Key | Value |
|---|---|
| FileName | ./usr/share/psi/quadratures/1_sqrtx/1_sqrtxk16_7E5 |
| FileSize | 1838 |
| MD5 | 7982BB50E6B206324EAF824ACB2C4AC6 |
| SHA-1 | 00A70FCB71D51E538A2D28F93C0F87C37E1949A7 |
| SHA-256 | 497CFE32DEB0CE69C75DBE53ED3E0DCB6CEC9B24B118B38DD04B2041623D0E2F |
| SSDEEP | 48:AV3mQvKsp+DVgKIlG6nShdHcRbkZ3/i7gW9IYd6jTQ1q39Vq3NIyv:2/ZMVgW6SIoc7ETWq3KI6 |
| TLSH | T1D93120F4008C56F9B57D4B40F62AF46135A7B07A7CD51E980FC16786E4152D38FD8686 |
| Key | Value |
|---|---|
| FileName | ./usr/share/psi/basis/cc-pcvqz-dk.gbs |
| FileSize | 55069 |
| MD5 | 710FBFAD0BE79C9D7F3D406A4233FB68 |
| SHA-1 | 00B911E0DC217C25528E7D9290F345DF74A051A6 |
| SHA-256 | 27EC96A944D91AD4151A9271BBAE5726197FDDC6A1D1AFE38D5C6759EF2E8158 |
| SSDEEP | 192:LHfgdiUNQXjg96DvyLe3yGuhmAOjBoYt73szGzswLK9uUT9eHgxk+gZwWRXZKcAm:bfENQXjDvD/D/zAhWglgZ/Ys/dB9sel |
| TLSH | T1403388D396893440F139CD3155A2765E062DB06B9CD76CE9B19CAB888FE3B881FDF016 |