qmcpack/manual
Ye Luo aea4065525 Update BGQ toolchain name. 2018-10-31 16:47:27 -05:00
..
dev_notes Remove merged files in the miniapps folder. 2017-07-27 16:49:42 -05:00
figures Merge branch 'htxelatex_for_html_output' of github.com:PDoakORNL/qmcpack into htxelatex_for_html_output 2018-06-26 15:47:56 -04:00
html .gitignore's fixed 2018-06-22 11:06:41 -04:00
HEADER.txt Update copyright statement 2018-10-22 16:27:43 -04:00
README.md added didn't read the readme test to build_manual.sh 2018-06-27 15:12:36 -04:00
additional_tools.tex Fix cross references unrelated to this PR 2018-08-01 09:56:50 -04:00
afqmc.tex Correct spelling errors across entire source 2018-10-10 19:58:16 -04:00
analysis.tex Change density section to TBD 2018-07-05 14:41:44 -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 Update reference. 2018-08-30 22:13:15 -05:00
build_html_manual.sh cleanup of PR, reinclusion of LPQHI.pdf, XCharter Safety 2018-06-26 15:44:34 -04:00
build_manual.sh added didn't read the readme test to build_manual.sh 2018-06-27 15:12:36 -04:00
build_pdflatex_manual_legacy.sh Rename + comment script to indicate legacy use 2018-06-26 14:22:05 -04:00
coding_standards.tex Removing last reference to SPOSetBase and fixing more typos 2018-10-25 12:26:28 -04:00
contributing.tex manual update: move XML ref template to contributing section for developers 2016-01-21 15:41:02 +00:00
convert4qmc.tex Correct spelling errors across entire source 2018-10-10 19:58:16 -04:00
design_features.tex cleanup of PR, reinclusion of LPQHI.pdf, XCharter Safety 2018-06-26 15:44:34 -04:00
developing.tex first attempt to get code contribution standards in manual 2018-10-22 16:27:43 -04:00
dmc.tex Improve manual text 2018-04-12 17:34:11 -04:00
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
external_tools.tex Added USE_NVTX_API to the manual. Backed out accidental change to GNUCompiler.cmake 2018-07-05 10:36:08 -04:00
fdlr.tex Link FDLR text to manual. LaTeX fixes. Cite FDLR paper in bibliography 2017-11-17 13:30:30 -05:00
features.tex Correct spelling errors across entire source 2018-10-10 19:58:16 -04:00
gaussian_orbitals_solids.tex Correct spelling errors across entire source 2018-10-10 19:58:16 -04:00
hamiltonianobservable.tex Correct spelling errors across entire source 2018-10-10 19:58:16 -04:00
input_overview.tex Describe random number initialization. 2017-12-19 14:54:09 -06:00
installation.tex Update BGQ toolchain name. 2018-10-31 16:47:27 -05:00
integrals_for_afqmc.tex Correct spelling errors across entire source 2018-10-10 19:58:16 -04:00
intro_wavefunction.tex Fix typos, remove deprecated observables and tools 2018-07-05 13:55:50 -04:00
introduction.tex need qualified relative paths to figures for html 2018-06-22 11:06:41 -04:00
ionwf.tex add a few words about usefulness 2018-01-03 16:21:54 -06:00
jastrow.tex Add a brief intro to JeeI and an example. 2018-07-06 15:02:42 -05:00
jastrow_one_body_pade.tex consistent XML in manual 2018-07-06 10:28:46 -05:00
jastrow_one_body_spline.tex Fix typos, remove deprecated observables and tools 2018-07-05 13:55:50 -04:00
jastrow_two_body_spline.tex jastrow manual update 2016-04-14 12:35:43 +00:00
lab_advanced_molecules.tex need qualified relative paths to figures for html 2018-06-22 11:06:41 -04:00
lab_condensed_matter.tex Correct spelling errors across entire source 2018-10-10 19:58:16 -04:00
lab_qmc_basics.tex Correct spelling errors across entire source 2018-10-10 19:58:16 -04:00
lab_qmc_statistics.tex need qualified relative paths to figures for html 2018-06-22 11:06:41 -04:00
methods.tex Updates to manual about checkpointing. 2017-03-23 00:31:23 -05:00
multideterminants.tex Bibliography and cross referencing improvements 2018-04-11 15:00:27 -04:00
opt.tex htxelatex is more picky than xelatex 2018-06-22 11:06:40 -04:00
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
prep_pdf.sh define a dmn graphics extension for pdf->svg workaround 2018-06-22 11:06:41 -04:00
pseudopotentials.tex Fix cross references unrelated to this PR 2018-08-01 09:56:50 -04:00
pyscf_for_afqmc.tex Update pyscf_for_afqmc.tex 2017-09-20 11:00:44 -05:00
qmcpack_manual.cfg define a dmn graphics extension for pdf->svg workaround 2018-06-22 11:06:41 -04:00
qmcpack_manual.mk4 bug in \lstset fixed better double figures 2018-06-22 11:06:41 -04:00
qmcpack_manual.sty Correct spelling errors across entire source 2018-10-10 19:58:16 -04:00
qmcpack_manual.tex Moving .clang-format to src/ updates to coding standards 2018-10-22 16:27:43 -04:00
qmcpack_papers.bib Update reference. 2018-08-30 22:13:15 -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 environment variable 2018-10-10 23:15:37 -05:00
selected_ci.tex Correct spelling errors across entire source 2018-10-10 19:58:16 -04:00
simulationcell.tex Update manual. 2018-08-31 16:41:00 -05:00
spo.tex Start to add hybrid oprbital rep in manual. 2018-04-20 18:07:46 -05:00
spo_gaussian.tex Cleanup, sharpen text, remove duplication 2018-08-01 11:50:14 -04:00
spo_heg.tex Correct spelling errors across entire source 2018-10-10 19:58:16 -04:00
spo_hybrid.tex Correct spelling errors across entire source 2018-10-10 19:58:16 -04:00
spo_pw.tex Added section labels 2015-05-29 17:20:11 +00:00
spo_spline.tex Cleanup, sharpen text, remove duplication 2018-08-01 11:50:14 -04:00
title.tex fixing branching mistake that kill xetex 2018-06-22 11:06:41 -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
version.tex Improve version formatting 2018-05-02 17:32:45 -04:00
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. An HTML version can also be created, using additional tools.

  • A script, build_manual.sh provides the current "best" version of the manual.
  • A TeX Live installation of 2017-01-20 or later including the xetex-collection is suggested to build the PDF manual.
  • An up to date TeX Live installation is suggested to build the HTML version of the manual.

ATTENTION:

If you have a TeX Live installation predating the 2017-01-20 release or not including the xetex collection use the build for legacy tex installs. The content is the same but various formatting issues exist. The manual can be built with only the files in the manual directory, consider building it somewhere with a current tex distribution.

build_pdflatex_manual_legacy.sh

Contributing:

  • Do not use packages, features, or fonts not included in texlive 2017 unless you insure they degrade reasonably for 2017.
  • Don't use deprecated packages.
  • In fact don't add packages unless they are bringing great value and are supported by tex4ht.
  • Tex files and Bib files are UTF8 encoded, do not save them in other encodings. Some may report being ASCII encoded since they contain no unicode characters.
  • Unicode rules:
    • Do not use characters for which well established latex idiom exists, especially dashes, quotes, and apostrophes.
    • Use math mode markup instead of unicode characters for equations.
    • Be cautious of WYSIWYG word processors, cutting and pasting can pickup characters promoted to unicode by the program.
    • Take a look at your text multibyte expanded i.e. open in (emacs and esc-x toggle-enable-multibyte-characters), see any unicode you didn't intend?

OS X

For OS X, MacTex equivalent to TeX Live(1/20/2017) release or later is suggested. You should also symlink the TeX Live truetype fonts in so xetex can find them:

ln -s /usr/local/TeX Live/2018/texmf-dist/fonts/truetype/ ~/Library/Fonts/texlive-truetype

QMCPACK HTML Manual

In addition to the suggestion of up-to-date TeX Live (do not assume anything is broken unless you have it). pdf2svg is required, your system package manager may supply it, homebrew on OSX, and spack on linux are also options.

Recipes for pdf2svg and other tools

OSX

Assuming don't have an up to date texlive and for some reason haven't installed homebrew. If you are still using macports I strongly suggest moving your install tree and giving homebrew a try.

/usr/bin/ruby -e "$(curl -fsSL https://raw.githubusercontent.com/Homebrew/install/master/install)"
brew cask (re)install mactex
brew install pdf2svg
tlmgr update -all

Centos7

It is assumed you have spack to assist in dealing with package management. Yum is used to install packages that should (or must poppler-glib-devel) be available at the system level.

    yum install gcc-c++
    yum install environment-modules
    yum install bzip2
    spack install curl
    spack load curl
    sudo yum install libstdc++-static.x86_64
    spack install gcc@7.3.0 +binutils +piclibs
    spack load gcc@7
    sudo yum install cairo-devel.x86_64
    sudo yum install poppler-glib-devel.x86_64
    spack install pdf2svg%gcc@7.3.0
    tlmgr update make4ht