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438 Commits

Author SHA1 Message Date
Ye Luo aea4065525 Update BGQ toolchain name. 2018-10-31 16:47:27 -05:00
Paul R. C. Kent fe9d3d5ec6
Merge branch 'develop' into cpp14 2018-10-31 16:58:47 -04:00
Mark Dewing a010a5973f Be consistent referring to C++ 14 standard library 2018-10-31 14:37:01 -05:00
Mark Dewing 38eb8e0afe Update manual for C++ 14. 
Also add a section on the subtly of the C++ library vs language.
 2018-10-31 12:20:13 -05:00
Ye Luo 6002b90002
Merge branch 'develop' into coding_standards 2018-10-26 08:46:22 -05:00
Peter Doak 3c7f769371 Removing last reference to SPOSetBase and fixing more typos 2018-10-25 12:26:28 -04:00
Peter Doak bde0b6d6ca fixing inconsistent get and set funciton names 2018-10-25 12:23:27 -04:00
Peter Doak d40b4da946 Actuallly fixing braces 2018-10-25 12:20:52 -04:00
Peter Doak 672397fae8 Updating and cleaning up the coding standards document. 2018-10-25 12:12:52 -04:00
Mark Dewing ec480b7d89
Fix typo in installation.txt 2018-10-24 14:07:48 -05:00
Mark Dewing 1fdab20d26 Update cmake version for Theta in manual 2018-10-24 11:56:22 -05:00
Mark Dewing 6cde146f50 Update manual with cmake 3.6 as the minimum. 2018-10-24 11:22:52 -05:00
Peter Doak 7772ab0364 fixed control statment code format example 2018-10-22 16:27:43 -04:00
Peter Doak 020b6a2745 Moving .clang-format to src/ updates to coding standards 
still [WIP]
 2018-10-22 16:27:43 -04:00
Paul R. C. Kent 04e25793d6 Typo and copyright 2018-10-22 16:27:43 -04:00
Paul R. C. Kent 5fe00bdeb9 Update copyright statement 
At our present level of understanding, should not single out any one contributor
 2018-10-22 16:27:43 -04:00
Peter Doak 63f891e45b some improvements 2018-10-22 16:27:43 -04:00
Peter Doak 88f25a7f89 coding standards updated more, maktching .clang-format added 2018-10-22 16:27:43 -04:00
Peter Doak 73b3b2a64b first attempt to get code contribution standards in manual 2018-10-22 16:27:43 -04:00
Ye Luo 2bff16681b environment variable 2018-10-10 23:15:37 -05:00
Paul Kent f5c7747afb Correct spelling errors across entire source 2018-10-10 19:58:16 -04:00
Ye Luo 5c9feaa69a
Merge branch 'develop' into bconds-error-trap 2018-09-04 13:35:37 -06:00
Ye Luo 95908ee40c Update manual. 2018-08-31 16:41:00 -05:00
Ye Luo 9b2e605952 Update the command line option list in the manual. 2018-08-30 22:13:15 -05:00
Ye Luo d1a92e3045 Update reference. 2018-08-30 22:13:15 -05:00
Paul Kent 0164eff430 Refine manual text 2018-08-16 10:01:35 -04:00
anbenali 2bc274bbb3 Implementation of Kpoint with real coefficients in LCAO 2018-08-16 08:35:24 -05:00
Ye Luo 264ce357be Update manual. 2018-08-03 13:30:56 -05:00
Paul Kent ad6d6a0ef2 Cleanup, sharpen text, remove duplication 2018-08-01 11:50:14 -04:00
Paul Kent 8430f02650 Fix cross references unrelated to this PR 2018-08-01 09:56:50 -04:00
anbenali e0433e58c8 Manual for PBC gaussians for gamma Kpoint 2018-07-30 19:14:52 -05:00
Ye Luo e21933cd3c Replace residual MKL_HOME with MKL_ROOT. 2018-07-19 08:35:42 -05:00
Peter Doak 1978be4098 Consistency fix for MKL_ROOT 2018-07-19 09:11:12 -04:00
Peter Doak 5d0673410d re:Ye's review: removal redundant \normalsize MKL lib item, etc. 2018-07-18 18:39:31 -04:00
Peter Doak 293e6e4c7f pushing to get a good look at how I broke itemize of nightlies 2018-07-18 15:51:11 -04:00
Peter Doak 4c5cc23402 Adding ENABLE_MKL where it is lacking 2018-07-18 12:48:30 -04:00
Peter Doak d7a51d9460 resizing verbatim sections for consistency 
cleaning up trailing whitespace
 2018-07-18 11:46:58 -04:00
Peter Doak 586ebb33bd Adding ENABLE_MKL docs making options fit on the page of pfd manual 2018-07-18 10:40:07 -04:00
Ye Luo d874c170a0 Merge remote-tracking branch 'origin/develop' into QE6.3+pw2qmcpack 2018-07-12 19:57:01 -05:00
Peter Doak f0960f26c0 References aren't a chapter but are in toc 2018-07-11 13:45:19 -04:00
Peter Doak 401449670a Restoring references Chapter 2018-07-11 13:13:36 -04:00
Ye Luo 8375f065cb Update manual. 2018-07-09 19:06:23 -05:00
Ye Luo 25d8ee5c12 Add a brief intro to JeeI and an example. 2018-07-06 15:02:42 -05:00
Ye Luo b8f050ab14
Merge branch 'develop' into align-pade2-input-tag 2018-07-06 12:11:20 -05:00
Ye Luo 7ff291cfd8
Merge branch 'develop' into addnvtx 2018-07-06 11:30:45 -05:00
Peter Doak 9a9c1b665f consistent XML in manual 2018-07-06 10:28:46 -05:00
Ye Luo 5ec2582791 Align pade2 input tag as pade, only accept var. 2018-07-06 10:28:46 -05:00
Ye Luo ff8e578f82 Reflect the default change of QE wf_collect. 2018-07-05 14:51:44 -05:00
Jaron Krogel 95e52da7c0 Change density section to TBD 2018-07-05 14:41:44 -04:00
Jaron Krogel 92ee2001a4 Remove truncate/buffer from condensed matter lab. 2018-07-05 14:21:15 -04:00