qmcpack/tests/molecules/H4_ae/descent_target_ref/README

13 lines
254 B
Plaintext

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