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qmcpack/tests/molecules/H4_ae/descent_ref
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Leon Otis e12b570a3c Fix descent test 2019-10-02 16:26:07 -07:00
..
H4.ptcl.xml Add test for hybrid method 2019-09-20 16:32:53 -07:00
H4.wfs.xml Add test for hybrid method 2019-09-20 16:32:53 -07:00
README Add test for hybrid method 2019-09-20 16:32:53 -07:00
descent_ref.s000.scalar.dat Fix descent test 2019-10-02 16:26:07 -07:00
descent_ref.s001.scalar.dat Fix descent test 2019-10-02 16:26:07 -07:00
descent_ref.s002.scalar.dat Fix descent test 2019-10-02 16:26:07 -07:00
descent_ref.s003.scalar.dat Fix descent test 2019-10-02 16:26:07 -07:00
descent_ref.s004.scalar.dat Fix descent test 2019-10-02 16:26:07 -07:00
descent_ref.s005.scalar.dat Fix descent test 2019-10-02 16:26:07 -07:00
descent_ref.s006.scalar.dat Fix descent test 2019-10-02 16:26:07 -07:00
descent_ref.s007.scalar.dat Fix descent test 2019-10-02 16:26:07 -07:00
descent_ref.s008.scalar.dat Fix descent test 2019-10-02 16:26:07 -07:00
descent_ref.s009.scalar.dat Fix descent test 2019-10-02 16:26:07 -07:00
qmcpack.out Fix descent test 2019-10-02 16:26:07 -07:00

README 

Test details

This is a partial optimization using descent for a H4 geometry followed by VMC.

Reference VMC was performed using 100x as many total samples as the test.

Reference files

revised-descent_ref.xml
H4.ptcl.xml
H4.wfs.xml
qmcpack.out