LCPQ/quantum_package
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41 Commits 6 Branches 5 Tags 93 MiB
c03132b4f9
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10 Commits

Author SHA1 Message Date
Anthony Scemama
c03132b4f9 Minor changes in Hartree-Fock 2014-04-24 12:31:15 +02:00
Anthony Scemama
0764aa259d Added Mono Integrals. Works in openMP 2014-04-16 22:16:32 +02:00
Anthony Scemama
585eb90a77 rst format in output directory 2014-04-11 01:53:15 +02:00
Anthony Scemama
65ffb4ad5f Setup testing environment 2014-04-07 16:56:29 +02:00
Anthony Scemama
166df2ba8d Auto-update README.rst 2014-04-04 00:41:43 +02:00
Anthony Scemama
ef42d6ebc4 Simplified Makefiles 2014-04-03 13:59:51 +02:00
Anthony Scemama
20ed8c923a Simplified Makefiles 2014-04-03 11:28:54 +02:00
Anthony Scemama
f9f3fac7ff Make all_modules and all_clean compiles in parallel. Added NEEDED_MODULES 2014-04-03 11:19:41 +02:00
Anthony Scemama
a89f032e15 Added MOs and bitmasks 2014-04-03 01:59:48 +02:00
Anthony Scemama
6c29d22aa2 Added Utils, Electrons, Ezfio, Nuclei, include, AOs. 2014-04-01 18:38:51 +02:00