| Key | Value |
|---|---|
| FileSize | 3938928 |
| MD5 | CF8AD9E178F75E19C9E0D0E3D1985DFD |
| 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 | 4.0~beta5+dfsg-2 |
| SHA-1 | 219715059E10B56B2D0D7FCA085E1434481A53DA |
| SHA-256 | EB5EEE13D1FAC6988F7A268AD8AED6AA8297C1FC39AE5D3871F095F5F7AA9A5D |
| 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/doc/psi4/html/sphinx/autodir_options_c/psimrcc__diagonalize_heff.html |
| FileSize | 6408 |
| MD5 | 30896F7404B3942991258F23D5F33F31 |
| SHA-1 | 00189A2318C4372A21E6E5BB73D1EC801B76F331 |
| SHA-256 | B24833337C2457DC535430894ACA90B42BF650BE09DF527D1BF3C031FA702ECB |
| SSDEEP | 96:ufff23YrD9Wj51pVIfkZlzZSDS1TpDPjCTpVfbr:8SuuMkZiW1k/ |
| TLSH | T17FD132015CF0D9B3851B89E6E8F1EA35BC86C1D7C2055D4870EC669E9FC2F898D07A8E |
| 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/6d226b386c7154758bd8d057981564e67aa5a550.png |
| FileSize | 455 |
| MD5 | 49A17845B3145D75102726E11674B563 |
| SHA-1 | 003FF3D344C855C5EB5E89EF56B024466A00260E |
| SHA-256 | 5F435F1B2D45FD109A86B7D3F9B9CDB182085CA2C4B3F4722BB717752977884D |
| SSDEEP | 12:6v/70xMfUlYqhEHdVAFqhS50a9fiV5b15tiVlz:BxQFuEHgFF7qTb15ti7 |
| TLSH | T172F05C16E082EC035B2C6A20326B60419B2A40268632B03A22A2480BE9C25B29CA30F2 |
| 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/_images/math/6162680ad2a9bb6c5e4b2e3433584f41a4bd22a2.png |
| FileSize | 401 |
| MD5 | B47771F0D47B22B11D20D5358D0601CD |
| SHA-1 | 0076268CE2CAA14059D57D5C4AC753B103950C67 |
| SHA-256 | FD6DD561DC3F4DAE2E2C2875177EE375C14AA43D9E6A9346DB1D208D1EF8EDB0 |
| SSDEEP | 12:6v/7s+oPp1cheSy2Sj9xfflOgheHtI9sR:J+Y8hXoj9x0ggksR |
| TLSH | T1A5E0F163C653DD2EA38684FE2B155C00C57FF4ED7701F248106EDA2B3A875740430AA7 |
| 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 |