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Ye Luo a08f67b545 Overwrite maxCopy to 2 if it is larger and nonblocking=yes. 2018-01-09 14:18:10 -06:00
..
dev_notes Remove merged files in the miniapps folder. 2017-07-27 16:49:42 -05:00
figures add feature documentation by K. Esler and S. Chiesa (amended) 2017-10-24 09:22:26 -04:00
README.md Via bibtopic package, add separate bibliography listing all qmcpack papers 2018-01-03 13:57:00 -05:00
additional_tools.tex Update qmcpack_manual.pdf. Also, straighten out section and subsection. 2017-01-31 17:51:41 -07:00
afqmc.tex fix bug in Utils.cpp 2017-09-19 14:25:59 -07:00
analysis.tex QMCPACK manual entry for timestep fitting tool 2017-08-29 12:17:52 -04:00
appendices.tex Appendix tag now in qmcpack_manual.tex 2018-01-03 14:10:24 -05:00
backflow.tex Small edits: I/we, mention new optimizer 2017-09-13 09:20:03 -04:00
backflow_implementation.tex added backflow implementation guide to manual 2017-10-16 21:56:22 -05:00
bibliography.bib Minor correction in manual bibliography. 2018-01-07 22:07:45 -06:00
build_manual.sh Simple build script for manual 2018-01-03 14:19:31 -05:00
contributing.tex manual update: move XML ref template to contributing section for developers 2016-01-21 15:41:02 +00:00
design_features.tex Via bibtopic package, add separate bibliography listing all qmcpack papers 2018-01-03 13:57:00 -05:00
developing.tex added backflow implementation guide to manual 2017-10-16 21:56:22 -05:00
dmc.tex Overwrite maxCopy to 2 if it is larger and nonblocking=yes. 2018-01-09 14:18:10 -06:00
estimator_implementation.tex Merge estimator implementation text with main manual 2017-05-24 19:34:32 -04:00
examples.tex Move H2O molecule example to subdirectory, and add He atom examples. 2016-05-27 21:46:26 +00:00
fdlr.tex Link FDLR text to manual. LaTeX fixes. Cite FDLR paper in bibliography 2017-11-17 13:30:30 -05:00
features.tex Mention observables, non-core features 2017-11-10 10:56:30 -05:00
hamiltonianobservable.tex Smoothing to Ye's documentation updates 2017-09-01 11:41:28 -04:00
input_overview.tex Describe random number initialization. 2017-12-19 14:54:09 -06:00
installation.tex Update brew recipe 2017-12-19 21:17:38 -05:00
integrals_for_afqmc.tex changes to manual, removed PySCF discussion with local routines, will add back when things work 2017-09-18 16:25:59 -07:00
intro_wavefunction.tex more work on LCAO section 2016-03-11 23:54:12 +00:00
introduction.tex Minor typos, consistency fixes 2017-08-25 16:32:55 -04:00
ionwf.tex add a few words about usefulness 2018-01-03 16:21:54 -06:00
jastrow.tex jastrow manual update 2016-04-14 12:35:43 +00:00
jastrow_one_body_pade.tex jastrow manual update 2016-04-14 12:35:43 +00:00
jastrow_one_body_spline.tex jastrow manual update 2016-04-14 12:35:43 +00:00
jastrow_two_body_spline.tex jastrow manual update 2016-04-14 12:35:43 +00:00
lab_advanced_molecules.tex manual: initial changes for html conversion, use htlatex 2016-07-27 21:01:04 +00:00
lab_condensed_matter.tex update the manual with the description and instruction of parallel pw2qmcpack. 2016-09-06 00:09:53 +00:00
lab_qmc_basics.tex update the manual with the description and instruction of parallel pw2qmcpack. 2016-09-06 00:09:53 +00:00
lab_qmc_statistics.tex manual: initial changes for html conversion, use htlatex 2016-07-27 21:01:04 +00:00
methods.tex Updates to manual about checkpointing. 2017-03-23 00:31:23 -05:00
multideterminants.tex Added section labels 2015-05-29 17:20:11 +00:00
opt.tex Update opt section. 2017-11-14 09:30:49 -06:00
output_overview.tex Describe random number initialization. 2017-12-19 14:54:09 -06:00
particleset.tex Particleset section 2015-07-31 21:58:19 +00:00
pseudopotentials.tex Updates and fixes to the examples and internal reference in manual 2015-12-23 22:56:02 +00:00
pyscf_for_afqmc.tex Update pyscf_for_afqmc.tex 2017-09-20 11:00:44 -05:00
qmcpack_manual.tex Merge remote-tracking branch 'github/develop' into ionwf 2018-01-04 18:40:35 -06:00
qmcpack_papers.bib Improve accuracy 2018-01-03 15:21:32 -05:00
qmcpack_papers.tex Improve accuracy 2018-01-03 15:21:32 -05:00
reptation.tex Add some clarification on RMC use to the manual 2017-11-06 12:04:22 -07:00
running.tex Remove swapWalkersAsync and command line entry. 2018-01-03 13:12:42 -06:00
simulationcell.tex Text smoothing, adding Natoli reference 2017-12-19 21:39:11 -05:00
spo.tex Added section labels 2015-05-29 17:20:11 +00:00
spo_gaussian.tex more work on LCAO section 2016-03-11 23:54:12 +00:00
spo_heg.tex git-svn-id: https://subversion.assembla.com/svn/qmcdev/trunk@6617 e5b18d87-469d-4833-9cc0-8cdfa06e9491 2015-11-11 19:44:21 +00:00
spo_pw.tex Added section labels 2015-05-29 17:20:11 +00:00
spo_spline.tex update the manual about the mixed precision code. 2016-10-07 19:14:43 +00:00
title.tex Update title page URLs, permanently remove manual PDF 2017-08-30 09:32:00 -04:00
unit_testing.tex Add manual chapter on unit testing. 2016-11-14 22:43:50 +00:00
units.tex Added section labels 2015-05-29 17:20:11 +00:00
vmc.tex update the manual about the mixed precision code. 2016-10-07 19:14:43 +00:00

README.md

QMCPACK Manual

This directory contains the LaTeX source for the QMCPACK manual. The PDF manual is not currently created by the build process and must be created manually. Note that due to the use of the bibtopic package to support two bibliographies, bibtex must be invoked twice:

pdflatex qmcpack_manual.tex
bibtex qmcpack_manual1
bibtex qmcpack_manual2
pdflatex qmcpack_manual.tex
pdflatex qmcpack_manual.tex