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quantum_package/src/MRCC
History
Thomas Applencourt 26e41d52a5 Fix conflicts
2015-04-02 15:04:18 +02:00
..
ASSUMPTIONS.rst Working on MRCC 2015-04-01 13:23:02 +02:00
H_apply.irp.f Working on MRCC 2015-04-02 10:13:33 +02:00
Makefile Working on MRCC 2015-04-01 13:23:02 +02:00
mrcc_dress.irp.f Corrected CAS-SD bug 2015-04-02 11:40:16 +02:00
mrcc_utils.irp.f Working on MRCC 2015-04-02 10:13:33 +02:00
mrcc.irp.f Working on MRCC 2015-04-02 10:13:33 +02:00
NEEDED_MODULES Fix conflicts 2015-04-02 15:04:18 +02:00
README.rst Working on MRCC 2015-04-02 10:13:33 +02:00

README.rst 

-4.142795384334731

4.695183071437694E-002
 Determinant           64
 ---------------------------------------------
 000000000000002E|000000000000002E
 |-+++-+----------------------------------------------------------|
 |-+++-+----------------------------------------------------------|

CAS-SD: -4.14214374069306
      : -4.14230904320551

E0 = -11.5634986758976