17 lines
575 B
Plaintext
17 lines
575 B
Plaintext
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.
|
|
|
|
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.
|
|
|
|
|
|
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
|