qmcpack/tests/solids/bccH_1x1x1_ae/dft-inputs
Raymond Clay 5f1d585ae3 Fix variance problem in CSVMC and add CMakeTests 2017-08-29 18:30:40 -06:00
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H.coulomb-ae.UPF Added missing H Coulomb potential to allow wavefunctions to be recreated 2015-12-29 19:20:57 +00:00
p2q.in Partial testing update. Adds bccH, diamondC 2 & 4, hcp Be, monoclinic O VMC total energy checks with jastrows. 2015-09-08 22:23:58 +00:00
p2q_dR.in Fix variance problem in CSVMC and add CMakeTests 2017-08-29 18:30:40 -06:00
scf.in Partial testing update. Adds bccH, diamondC 2 & 4, hcp Be, monoclinic O VMC total energy checks with jastrows. 2015-09-08 22:23:58 +00:00
scf.out Partial testing update. Adds bccH, diamondC 2 & 4, hcp Be, monoclinic O VMC total energy checks with jastrows. 2015-09-08 22:23:58 +00:00
scf_dR.in Fix variance problem in CSVMC and add CMakeTests 2017-08-29 18:30:40 -06:00
scf_dR.out Fix variance problem in CSVMC and add CMakeTests 2017-08-29 18:30:40 -06:00