| Key | Value |
|---|---|
| FileSize | 3846274 |
| MD5 | 872E67EEF1CDC331C40F194F5D947597 |
| 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 | 4.0~beta5+dfsg-2 |
| SHA-1 | 93497E7E9EC8A4E276F918203BFB94E3531D9082 |
| SHA-256 | 35958C8EF83D0DF399E14B50261714C24F2580A66672FFAB7A8A9BF129834EDF |
| hashlookup:children-total | 5101 |
| hashlookup:trust | 50 |
The searched file hash includes 5101 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/sphinx/_images/math/bac4dbe1c696d11e8dc43dd7f613199b2120daa1.png |
| FileSize | 164 |
| MD5 | C71FC52AFC22244B479034E503B1CA7B |
| SHA-1 | 003350C9A33A967FD1B2CD4AE8B72662C195CB74 |
| SHA-256 | B497D978A2D91CD375155473FEE014F458AA6A02F96E93575390A6CFD40C42E7 |
| SSDEEP | 3:yionv//thPlH2tSlD/tD09/wbhkKNKW/QrvNJrsd125lPFlS8g1p:6v/lhPMtUD0e3KWYxJwm6p |
| TLSH | T13AC02BEA0EB28D38C3612232453DC3339C3E02301E100CAF34868432BC931019D80205 |
| Key | Value |
|---|---|
| FileName | ./usr/share/doc/psi4/html/sphinx/autodir_options_c/scf__e_convergence.html |
| FileSize | 6555 |
| MD5 | 12AF86C2E879FC8A97BA2C2320EC9B27 |
| SHA-1 | 0033D0CABFE3CCE0855E774D33BCC33834AF7A48 |
| SHA-256 | 034D1C072C0801A6B582751FE70EAFC338402F0F16E2C9EB99EEB635D18C4ED7 |
| SSDEEP | 96:Afffw1KrD9Wj0HWpVw7ObEu6KWHIkS6S1TpDPj5xqpVVY:GIyt0bEu6Gz1RT |
| TLSH | T12BD153116CF099A3811789E2E8F1E63ABCC2D197D1456C0870EC66AD5FC3F498D1778E |
| 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/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/sphinx/autodir_options_c/ccenergy__maxiter.html |
| FileSize | 6267 |
| MD5 | 857FDD310850A267255D5C1BDFC7DDE2 |
| SHA-1 | 0079F57AE319834EEC1383675C5429C8EDF10D6D |
| SHA-256 | 0755FF9E3FC03FF6E05C97C59226D7BCB1FCB80B53C337439507F8C4BDDD71D4 |
| SSDEEP | 96:nfffw+rD9Wji8pVY7ObRfJkIESSDS1TpDPjJ4pVvY:3IUXGbRfJUW17/ |
| TLSH | T144D1F1115CF0E9A3821B89E6E8F5F639FC829597C2055D4870EC65AD9FC2F888D0778E |
| 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/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 |