qmcpack/manual
Ye Luo b0a9b99144 fix consistent default. 2019-09-16 09:13:28 -05:00
..
dev_notes Remove merged files in the miniapps folder. 2017-07-27 16:49:42 -05:00
figures Change figure graphic formats for html generation 2019-03-26 14:58:23 -04:00
html .gitignore's fixed 2018-06-22 11:06:41 -04:00
utils Little more documentation of the process, more manual than hoped 2019-02-06 15:38:37 -05:00
HEADER.txt Update copyright statement 2018-10-22 16:27:43 -04:00
README.md Improve readme 2019-02-07 13:01:08 -05:00
adding_wavefunction.tex Add tildes and remove backets for better formatting and consistency 2019-07-03 18:20:34 -04:00
additional_tools.tex Update \ref with ~\ref 2019-07-29 10:42:33 -04:00
afqmc.tex Update \ref with ~\ref 2019-07-29 10:42:33 -04:00
analysis.tex Add tildes and remove backets for better formatting and consistency 2019-07-03 18:20:34 -04:00
appendices.tex Extra files 2019-08-05 11:13:48 -04:00
backflow.tex Consistency 2019-08-05 09:50:50 -04:00
backflow_implementation.tex More editing 2019-08-02 19:39:40 -04:00
bibliography.bib Add manual entry. 2019-08-19 23:49:54 -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 Improve wording 2018-12-14 18:14:51 -05:00
build_pdflatex_manual_legacy.sh Rename + comment script to indicate legacy use 2018-06-26 14:22:05 -04:00
coding_standards.tex QMCPACK spelling 2019-08-02 19:44:15 -04:00
contributing.tex More editing 2019-08-02 19:39:40 -04:00
convert4qmc.tex Update \ref with ~\ref 2019-07-29 10:42:33 -04:00
design_features.tex Typo, consistency 2019-08-05 09:47:45 -04:00
developing.tex Add docs on distances and particles to the manual 2019-09-09 11:56:05 -05:00
distance_tables.tex Fix distance table docs 2019-09-09 13:36:49 -05:00
dmc.tex Edits from Charlie 2019-07-03 14:43:12 -04:00
estimator_implementation.tex Change to OperatorBase in manual 2019-09-05 22:45:30 -05:00
estimator_manager.tex Change to OperatorBase in manual 2019-09-05 22:45:30 -05:00
examples.tex Fix refs 2019-07-22 09:12:32 -04:00
external_tools.tex Edits from Charlie 2019-07-26 17:53:01 -04:00
fdlr.tex Edits from Charlie 2019-07-03 14:43:12 -04:00
features.tex Add tildes and remove backets for better formatting and consistency 2019-07-03 18:20:34 -04:00
gaussian_orbitals_solids.tex Update GTO chapter 2019-07-09 11:29:40 -04:00
hamiltonianobservable.tex Add manual entry. 2019-08-19 23:49:54 -05:00
input_overview.tex Update \ref with ~\ref 2019-07-29 10:42:33 -04:00
installation.tex Update \ref with ~\ref 2019-07-29 10:42:33 -04:00
integrals_for_afqmc.tex fix for the overflowing xml tables. smaller ttfont adaptive column 2019-02-06 15:24:46 -05:00
intro_wavefunction.tex Add tildes and remove backets for better formatting and consistency 2019-07-03 18:20:34 -04:00
introduction.tex More tildes 2019-07-03 18:30:18 -04:00
ionwf.tex Remove space 2019-08-05 09:53:16 -04:00
jastrow.tex merging develop into cuspjastrow and resolving a conflict in manual/opt.tex 2019-07-09 15:20:21 -07:00
jastrow_one_body_pade.tex Add tildes and remove backets for better formatting and consistency 2019-07-03 18:20:34 -04:00
jastrow_one_body_spline.tex Section edits 2019-06-06 16:54:29 -04:00
jastrow_one_body_srcusp.tex improved manual entry 2019-06-29 10:48:53 -07:00
jastrow_two_body_spline.tex Section edits 2019-06-06 16:54:29 -04:00
jastrow_user.tex Add paragraph about unit test for user jastrow 2019-06-21 15:34:55 -05:00
just_labs.tex first step toward unified verbatim sections 2019-02-05 18:35:00 -05:00
lab_advanced_molecules.tex Update \ref with ~\ref 2019-07-29 10:42:33 -04:00
lab_condensed_matter.tex Capitalize MPI 2019-07-25 13:03:28 -05:00
lab_excited.tex Update \ref with ~\ref 2019-07-29 10:42:33 -04:00
lab_qmc_basics.tex Update \ref with ~\ref 2019-07-29 10:42:33 -04:00
lab_qmc_statistics.tex Manual curation 2019-07-19 20:21:00 -04:00
methods.tex this has been the actual behavior for some time 2019-07-17 18:57:57 -04:00
multideterminants.tex Edits from Charlie 2019-07-03 14:43:12 -04:00
opt.tex merging develop into cuspjastrow and resolving a conflict in manual/opt.tex 2019-07-09 15:20:21 -07:00
output_overview.tex Add tildes and remove backets for better formatting and consistency 2019-07-03 18:20:34 -04:00
particleset.tex Particleset edits 2019-06-05 14:55:40 -04:00
prep_pdf.sh define a dmn graphics extension for pdf->svg workaround 2018-06-22 11:06:41 -04:00
pseudopotentials.tex fixes for legacy pdflatex build and additional refinements 2019-02-07 07:38:25 -05:00
pyscf_for_afqmc.tex Manual curation 2019-07-19 20:21:00 -04:00
qmcpack_listings.sty more texttt turned to better inline lstlistings 2019-02-06 17:39:09 -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 Add example He wavefunction. 2019-05-30 16:27:00 -05:00
qmcpack_papers.bib Update Segovia NaK paper 2019-05-20 17:43:32 -04:00
qmcpack_papers.tex Extra files 2019-08-05 11:13:48 -04:00
reptation.tex Edits from Charlie 2019-07-03 14:43:12 -04:00
running.tex Update manual 2019-07-18 16:55:34 -05:00
selected_ci.tex Update \ref with ~\ref 2019-07-29 10:42:33 -04:00
simulationcell.tex fixes for legacy pdflatex build and additional refinements 2019-02-07 07:38:25 -05:00
singledeterminant.tex Lower case input for singledeterminant 2019-07-22 16:11:21 -04:00
spo.tex Start to add hybrid oprbital rep in manual. 2018-04-20 18:07:46 -05:00
spo_gaussian.tex Add tildes and remove backets for better formatting and consistency 2019-07-03 18:20:34 -04:00
spo_heg.tex Section edits 2019-06-06 16:54:29 -04:00
spo_hybrid.tex Section edits 2019-06-06 16:54:29 -04:00
spo_pw.tex
spo_spline.tex Update manual 2019-07-18 16:55:34 -05:00
title.tex fixing branching mistake that kill xetex 2018-06-22 11:06:41 -04:00
unit_testing.tex More editing 2019-08-02 19:39:40 -04:00
units.tex Edits from Charlie Horak (ORNL) plus bib fix 2019-04-29 12:14:37 -04:00
version.tex Improve version formatting 2018-05-02 17:32:45 -04:00
vmc.tex fix consistent default. 2019-09-16 09:13:28 -05:00

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.
build_manual.sh

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. Since the manual can be built with only the files in the manual directory, consider building it somewhere with an up to date tex distribution.

build_pdflatex_manual_legacy.sh

Contributing:

See the chapter "Contributing to the Manual" in contributing.tex

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