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Diffstat (limited to 'biology/deft/pkg-descr')
| -rw-r--r-- | biology/deft/pkg-descr | 11 |
1 files changed, 6 insertions, 5 deletions
diff --git a/biology/deft/pkg-descr b/biology/deft/pkg-descr index 7b1956635801..0d0cf60112c9 100644 --- a/biology/deft/pkg-descr +++ b/biology/deft/pkg-descr @@ -1,15 +1,16 @@ -DeFT is a density functional moleculat orbital -calculation program. +DeFT is a density functional moleculat orbital calculation program, +which was made by Alain St-Amant at Univ. Ottawa. +If you are interested in DeFT, please try to contact him. -Basis sets are prepared for H to Xe. +URL:http://www.chem.uottawa.ca/st-amant/st-amant_en.html + +DeFT_2.2 may be run with MPI, but I did not try it. -WWW: http://www.chem.uottawa.ca/DeFT.html Potring to 4.0-CURRENT (__FreeBSD_version == 400005) and later versions have been assisted greatly by Glenn Johnson <gjohnson@nola.srrc.usda.gov>, thanks a lot ! He found a couple of troublesome in optimization using g77 at FreeBSD 4, then it is recommended to use f2c/cc. - -- rmiya |