From 876c4fb70d88989c811f6c3386c34be57867bc03 Mon Sep 17 00:00:00 2001 From: Jaron Krogel Date: Mon, 10 Aug 2015 14:29:42 +0000 Subject: [PATCH] nexus: revert support for poor qmcpack input design choices git-svn-id: https://subversion.assembla.com/svn/qmcdev/trunk@6546 e5b18d87-469d-4833-9cc0-8cdfa06e9491 --- nexus/library/qmcpack_input.py | 8 ++++---- 1 file changed, 4 insertions(+), 4 deletions(-) diff --git a/nexus/library/qmcpack_input.py b/nexus/library/qmcpack_input.py index 4e01a5061..70ff110d5 100644 --- a/nexus/library/qmcpack_input.py +++ b/nexus/library/qmcpack_input.py @@ -1692,7 +1692,7 @@ class mcwalkerset(QIxml): #end class mcwalkerset class qmcsystem(QIxml): - attributes = ['dim','wavefunction','hamiltonian'] + attributes = ['dim'] #,'wavefunction','hamiltonian'] # breaks QmcpackInput elements = ['simulationcell','particleset','wavefunction','hamiltonian','random','init','mcwalkerset'] #end class qmcsystem @@ -2426,7 +2426,7 @@ types = dict( #simple types and factories plurals = obj( particlesets = 'particleset', groups = 'group', - hamiltonians = 'hamiltonian', + hamiltonians = 'hamiltonian', pairpots = 'pairpot', pseudos = 'pseudo', estimators = 'estimator', @@ -2444,14 +2444,14 @@ plurals = obj( sposet_builders = 'sposet_builder', sposets = 'sposet', radfuncs = 'radfunc', - qmcsystems = 'qmcsystem', + #qmcsystems = 'qmcsystem', # not a good idea atomicbasissets = 'atomicbasisset', cis = 'ci', csfs = 'csf', dets = 'det', observables = 'observable', optimizes = 'optimize', - coefficientss = 'coefficients', + #coefficientss = 'coefficients', # bad plurality of qmcpack constants = 'constant', mcwalkersets = 'mcwalkerset', transformations = 'transformation',