Ubuntu
psi4 package

psi4 1:1.0-1 source package in Ubuntu

Changelog

psi4 (1:1.0-1) unstable; urgency=medium

  * New upstream stable release.  Changes since beta5 include:
   + CASSCF and DF-CASSCF energies.
   + DF-CCSD gradients
   + DF/CD-orbital optimized MP2
   + X2C scalar relativistic corrections
  * debian/patches/psi4rc-changes.patch: Removed, no longer needed. 
  * debian/patches/chemps_1_7_support.patch: Likewise.
  * debian/patches/relax_dmrg_caspt2_test.patch: Refreshed.
  * debian/patches/default_data_directory.patch: Likewise.

 -- Michael Banck <email address hidden>  Fri, 23 Sep 2016 22:02:40 +0200

Upload details

Uploaded by:
Debichem Team
Uploaded to:
Sid
Original maintainer:
Debichem Team
Architectures:
any all
Section:
misc
Urgency:
Medium Urgency

See full publishing history Publishing

Series Pocket Published Component Section

Downloads

File Size SHA-256 Checksum
psi4_1.0-1.dsc 2.2 KiB 95ce69ba65409a7005c515dc0fc0050520de76a1db490c6eff6d61c2ca3dbf10
psi4_1.0.orig.tar.gz 122.6 MiB 5eddeaa3f915a12e459d5dc7477cd12c8c6b6f976a066e444a1db0e5c35026b0
psi4_1.0-1.debian.tar.xz 9.0 KiB 97e6dda1e3c2c1db623a302c753b7f952ee6a27cefad563f4bbabea4671ab92f

Available diffs

No changes file available.

Binary packages built by this source

psi4: No summary available for psi4 in ubuntu zesty.

No description available for psi4 in ubuntu zesty.

psi4-data: No summary available for psi4-data in ubuntu zesty.

No description available for psi4-data in ubuntu zesty.

psi4-dbgsym: No summary available for psi4-dbgsym in ubuntu yakkety.

No description available for psi4-dbgsym in ubuntu yakkety.