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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
This commit is contained in:
Jaron Krogel 2015-08-10 14:29:42 +00:00
parent d6d0e87035
commit 876c4fb70d
1 changed files with 4 additions and 4 deletions
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8
nexus/library/qmcpack_input.py
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@ -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',