Skip to content

Commit

Permalink
Merge branch 'master' into fix_presort
Browse files Browse the repository at this point in the history
  • Loading branch information
Raimondas Galvelis committed Sep 27, 2018
2 parents d6f844a + 81b7428 commit c3c54fd
Show file tree
Hide file tree
Showing 194 changed files with 28,080 additions and 25,539 deletions.
9 changes: 9 additions & 0 deletions doc/sphinxman/source/prog_style_c.rst
Expand Up @@ -105,6 +105,15 @@ Using ``auto`` reduces and/or avoids:
*Reference:* Items 2 and 5 in `[Effective Modern C++] <https://edisciplinas.usp.br/pluginfile.php/1995323/mod_resource/content/1/Effective%20Modern%20C%2B%2B%202014.pdf>`_


.. _`faq:printmem`:

Prefer `GiB` for memory printing
--------------------------------

As memory sizes get larger, we should work in giga (requires decimal printing to not round to zero) rather than mega units.
As it's what we're computing anyways, we should work in 1024-based (mebi, gibi, etc. https://en.wikipedia.org/wiki/Gibibyte) rather than 1000-based units.
As it's a unit, put it in brackets.
Note that users can supply MiB, GB, bytes, or whatever; this guideline is for output printing. ::

outfile->Printf(" DFHelper Memory: AOs need %.3f [GiB]; user supplied %.3f [GiB]. ",
(required * 8 / (1024 * 1024 * 1024.0)),
2 changes: 0 additions & 2 deletions psi4/src/psi4/ccenergy/ccenergy.cc
Expand Up @@ -92,8 +92,6 @@ double CCEnergyWavefunction::compute_energy() {
double **geom, *zvals, value;
FILE *efile;
int **cachelist, *cachefiles;
dpdfile2 t1;
dpdbuf4 t2;
double *emp2_aa, *emp2_ab, *ecc_aa, *ecc_ab, tval;

moinfo_.iter = 0;
Expand Down

0 comments on commit c3c54fd

Please sign in to comment.