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qmcpack/tests/molecules/H4_ae/descent_target_ref
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Ye Luo 0011c363cb Update test input. 2022-08-23 15:42:02 -05:00
..
H4.ptcl.xml Add integration tests 2020-10-17 00:13:26 -07:00
H4.wfs.xml Add integration tests 2020-10-17 00:13:26 -07:00
README Add integration tests 2020-10-17 00:13:26 -07:00
qmcpack.out Add integration tests 2020-10-17 00:13:26 -07:00
ref_descent.xml Update test input. 2022-08-23 15:42:02 -05:00
target_descent_ref.s000.scalar.dat Add integration tests 2020-10-17 00:13:26 -07:00
target_descent_ref.s001.scalar.dat Add integration tests 2020-10-17 00:13:26 -07:00
target_descent_ref.s002.scalar.dat Add integration tests 2020-10-17 00:13:26 -07:00
target_descent_ref.s003.scalar.dat Add integration tests 2020-10-17 00:13:26 -07:00
target_descent_ref.s004.scalar.dat Add integration tests 2020-10-17 00:13:26 -07:00
target_descent_ref.s005.scalar.dat Add integration tests 2020-10-17 00:13:26 -07:00
target_descent_ref.s006.scalar.dat Add integration tests 2020-10-17 00:13:26 -07:00
target_descent_ref.s007.scalar.dat Add integration tests 2020-10-17 00:13:26 -07:00
target_descent_ref.s008.scalar.dat Add integration tests 2020-10-17 00:13:26 -07:00
target_descent_ref.s009.scalar.dat Add integration tests 2020-10-17 00:13:26 -07:00

README 

Test details

This is a partial target function 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

ref_descent.xml
H4.ptcl.xml
H4.wfs.xml
qmcpack.out