qmcpack

History

Ye Luo 0011c363cb Update test input.		2022-08-23 15:42:02 -05:00
..
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
hybrid_ref.s000.scalar.dat	Make shorter hybrid test	2019-10-01 15:23:24 -07:00
hybrid_ref.s001.scalar.dat	Make shorter hybrid test	2019-10-01 15:23:24 -07:00
hybrid_ref.s002.scalar.dat	Make shorter hybrid test	2019-10-01 15:23:24 -07:00
hybrid_ref.s003.middleShift.scalar.dat	Make shorter hybrid test	2019-10-01 15:23:24 -07:00
hybrid_ref.s003.scalar.dat	Make shorter hybrid test	2019-10-01 15:23:24 -07:00
hybrid_ref.s004.middleShift.scalar.dat	Make shorter hybrid test	2019-10-01 15:23:24 -07:00
hybrid_ref.s004.scalar.dat	Make shorter hybrid test	2019-10-01 15:23:24 -07:00
hybrid_ref.s005.middleShift.scalar.dat	Make shorter hybrid test	2019-10-01 15:23:24 -07:00
hybrid_ref.s005.scalar.dat	Make shorter hybrid test	2019-10-01 15:23:24 -07:00
hybrid_ref.s006.middleShift.scalar.dat	Make shorter hybrid test	2019-10-01 15:23:24 -07:00
hybrid_ref.s006.scalar.dat	Make shorter hybrid test	2019-10-01 15:23:24 -07:00
hybrid_ref.s007.middleShift.scalar.dat	Make shorter hybrid test	2019-10-01 15:23:24 -07:00
hybrid_ref.s007.scalar.dat	Make shorter hybrid test	2019-10-01 15:23:24 -07:00
hybrid_ref.s008.middleShift.scalar.dat	Make shorter hybrid test	2019-10-01 15:23:24 -07:00
hybrid_ref.s008.scalar.dat	Make shorter hybrid test	2019-10-01 15:23:24 -07:00
hybrid_ref.s009.scalar.dat	Make shorter hybrid test	2019-10-01 15:23:24 -07:00
hybrid_ref.xml	Update test input.	2022-08-23 15:42:02 -05:00
qmcpack.out	Make shorter hybrid test	2019-10-01 15:23:24 -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

hybrid_ref.xml
H4.ptcl.xml
H4.wfs.xml
qmcpack.out