ExpHP

$ bash -x $(which xdg-open) org-protocol:///capture://L/a/b/c
+ check_common_commands org-protocol:///capture://L/a/b/c
+ '[' 1 -gt 0 ']'
+ parm=org-protocol:///capture://L/a/b/c
+ shift
+ case "$parm" in
+ '[' 0 -gt 0 ']'
+ '[' -z '' ']'
+ unset XDG_UTILS_DEBUG_LEVEL
+ '[' 0 -lt 1 ']'

ExpHP

def _get_equivalent_smallest_vectors_simple(frac_vector,
                                            reduced_bases,
                                            symprec):

    def get_lattice_points():
        return np.array([
            [i, j, k] for i in (-1, 0, 1)
                      for j in (-1, 0, 1)
                      for k in (-1, 0, 1)
        ])

ExpHP

West/Para_kernel/class_idistribute.f90:37:14:

     PROCEDURE :: copyto => idistribute_copyto
             1
Error: Non-polymorphic passed-object dummy argument of ‘idistribute_copyto’ at (1)
West/Para_kernel/class_idistribute.f90:35:14:

     PROCEDURE :: g2l => idistribute_g2l
             1
Error: Non-polymorphic passed-object dummy argument of ‘idistribute_g2l’ at (1)

ExpHP

June 26 2017 - RELAXATION OR BUST

ABA/ABC: Try the automatic lattice parameter minimization.

For a baseline of comparison. Also, just in case things have somehow improved.

Result of relaxing ABC VDW

input layer sep

3.35 A; same as AB-stacked BLG

input parameter a

2.46 A; same as graphene

relaxed layer sep

3.3737 A (same for both pairs of adjacent layers)

ExpHP

June 26 2017 - RELAXATION OR BUST

ABA/ABC: Try the automatic lattice parameter minimization.

For a baseline of comparison. Also, just in case things have somehow improved.

Result of relaxing ABC VDW

input layer sep

3.35 A; same as AB-stacked BLG

input parameter a

2.46 A; same as graphene

relaxed layer sep

3.3737 A (same for both pairs of adjacent layers)

ExpHP

diff --git a/src/common/json/json.hpp b/src/common/json/json.hpp
index ed33b37..a579d43 100644
--- a/src/common/json/json.hpp
+++ b/src/common/json/json.hpp
@@ -8,6 +8,7 @@
 #include "common/json/json_serializable_t.hpp"
 #include "common/enums.hpp"
 
+#include <cstdlib>
 #include <string>

ExpHP

#[cfg(test)]
mod test_parsing {

	// NOTES:
	//  OptionStore holds the defined options for a program.
	//  The function being tested canonicalizes arguments like getopt.
	//
	//  .add_short() and .add_long() take a "number of option arguments" argument, (e.g. Precisely(2))
	//  because I mistakenly thought that options were allowed to take more than one.
	//  YOU CAN IGNORE ANY TEST WHERE THE INPUT SUPPLIES AN OPTION THAT TAKES MULTIPLE ARGUMENTS

ExpHP

save-excursion: Wrong number of arguments: (1 . 1), 0
                                           ^ the number of arguments is... A DOTTED PAIR!?
                                             am I reading this right!? O_o

ExpHP

main = shakeArgs opts $ do
    
    -- ...
    
    "[p]/[v]/freqs/[k]" !> \out fmt -> do
        let i = List.elemIndex (fmt "[k]") kpointShorts -- HACK should use order in data

        liftIO $ input (fmt "[p]/[v]/data.dat") & script "degnuplot"
            & procs "jq" [idgaf $ "[.[]["++show i++"][0][1]]"] -- FIXME shelling out to jq!?
            & toOut & output (idgaf out)

ExpHP

{-# LANGUAGE PackageImports #-}

module Turtle.Please
    ( module Turtle
    , fold, foldIO
    ) where

import qualified "turtle" Turtle as Turtle.Naughty
import           "turtle" Turtle hiding (fold, foldIO)