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Releases: lvpp/sigma

LVPP sigma-profile database (20.06)

30 Jun 14:20
@rpseng rpseng
20.06
466e352
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LVPP sigma-profile database (20.06) Latest
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20.06 release DOI

New release including:

  • 1874 mol files
  • Reduced size gout files
  • 1548 GAMESS computed COSMO files (gout)

PS. MOPAC files are now deprecated and were not included in this release.

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LVPP sigma-profile database (18.07)

20 Jan 14:24
@rpseng rpseng
18.07-doi
1ed5f8e
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LVPP sigma-profile database (18.07)

18.07 release including new mol files DOI

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LVPP sigma-profile database (18.07)

03 Jul 13:00
@fferrarini fferrarini
18.07
1ed5f8e
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LVPP sigma-profile database (18.07) 
new mol files
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LVPP sigma-profile database (18.03)

20 Mar 16:34
@fferrarini fferrarini
18.03
955f6d3
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LVPP sigma-profile database (18.03) 
add new compounds
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LVPP sigma-profile database (17.11)

15 Nov 13:22
@fferrarini fferrarini
17.11
bd7182d
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LVPP sigma-profile database (17.11) 
New .mol files: ions
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LVPP sigma-profile database (17.08)

28 Aug 14:00
@fferrarini fferrarini
17.08
6850a46
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LVPP sigma-profile database (17.08) 
README MOPAC - first version
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