Paul R. C. Kent
34b264dc81
Update README.md software versions
2021-12-11 18:25:02 -05:00
Kevin Gasperich
2c533a4d1b
add real-space RMG converter to convert4qmc ( #3351 )
...
* started adding RMG to convert4qmc
* replace raw pointer with std::unique_ptr for RMGParser in convert4qmc
* clang-format
* updated docs for RMG converter
* change supertwist handling in RMG converter
* added tests for RMG converter
* removed larger rmg converter test
* added spin-polarized RMG converter test
* add override for two RMGParser functions
* added RMG ctest (WIP)
* cleaned up RMG tests
* shortened rmg vmc test
* added rmg-diamond reference vals
* minor cleanup
* minor cleanup of cmake for RMG
Co-authored-by: Paul R. C. Kent <kentpr@ornl.gov>
2021-11-03 21:27:16 +00:00
Ye Luo
d48bd76181
Update README.md about CUDA_ARCH
2021-10-01 14:37:06 -05:00
Paul Kent
0c29345af5
Fix a few typos + minor updates
2021-08-31 12:14:21 -04:00
Ye Luo
fe02db2388
Update docs.
2021-08-29 21:20:54 -05:00
Ye Luo
f5ea93ab42
Remove AMD ACML.
2021-08-29 21:20:54 -05:00
Peter Doak
70f2cf5525
update readme
2021-08-06 17:27:42 -04:00
Ye Luo
bed09d43fe
Rename PGI to NVHPC
2021-07-23 11:40:43 -05:00
Paul R. C. Kent
4c49e8c3be
Update versions
2021-07-07 17:07:27 -04:00
Paul R. C. Kent
9441695112
Update prereqs+nightly versions in README.md
2021-04-18 15:53:34 -04:00
Paul Kent
12d7a2e4cc
QE and TeX updates
2021-04-08 13:44:39 -04:00
Paul Kent
a527138478
Modernize docs
2021-04-08 12:15:09 -04:00
William F Godoy
ebbbac7ac1
Add badges
...
Filter out external codes in coverage
2021-04-01 11:33:00 -04:00
Paul Kent
4b8f5c1b2c
Update nightly testing versions
2021-03-24 14:06:54 -04:00
Paul Kent
88dcb5726d
Remove legacy manual
2020-09-08 17:45:29 -04:00
Paul Kent
ea0c84e78f
Latest versions
2020-09-04 11:46:06 -04:00
Paul R. C. Kent
0f786f29f6
Coarse in readme
2020-09-02 15:48:35 -04:00
Ye Luo
e75a9b8045
Build with timers by default but at level none.
2020-09-02 11:32:19 -05:00
Ye Luo
7778a21e66
Update README.md
2020-08-25 16:31:03 -05:00
Paul Kent
42032a3bb2
Update Readme
2020-06-18 15:15:15 -04:00
Ye Luo
eec31b11fc
Update docs.
2020-06-15 09:44:10 -05:00
Paul R. C. Kent
769e517dc6
Current versions and requirements in README.md
2020-02-13 13:39:04 -05:00
Ye Luo
d8df0289f2
Python3 requirement in README.md
2020-01-09 00:46:06 -06:00
Ye Luo
7c4cfadd1f
Allows serial/parallel HDF5 selection in MPI builds.
2019-12-06 17:15:11 -06:00
Paul Kent
964cc87d05
Update test configuration and fix setting passing for ctest
2019-10-14 13:49:47 -04:00
Paul R. C. Kent
31539a4bb5
Correct SoA default in README.mD
2019-09-11 19:47:57 -04:00
Paul R. C. Kent
ff0e848294
Accurate CUDA version
2019-09-10 15:26:28 -04:00
Paul Kent
27ac31e1aa
Use QMC_VERBOSE_CONFIGURATION instead. Update docs.
2019-07-15 11:27:22 -04:00
Paul R. C. Kent
98fe4b1866
Increased Intel testing
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Latest releases of 2018 and 2019 compilers
2019-07-03 16:20:35 -04:00
Paul R. C. Kent
4b39f621f3
Fix typo
2019-07-03 13:14:28 -04:00
Paul Kent
04a58b7f15
Two year rule and software versions
2019-07-02 16:25:11 -04:00
Paul Kent
13689bf10c
Library not directory
2019-07-01 19:47:46 -04:00
Paul Kent
cc4dbc12b5
Update descriptions
2019-07-01 19:18:58 -04:00
Paul Kent
e0fbfd2225
Improve GPU and test descriptions
2019-03-26 17:26:29 -04:00
Mark Dewing
ca966720ca
Set minimum boost version to 1.61.0
...
Addresses #1254
This is for AFQMC. The real-space version may have more relaxed version requirements,
but this version seems available most everywhere and for simplicity a single
version requirement is added.
2018-12-14 15:27:51 -06:00
Paul R. C. Kent
4baa7055ee
C99, Remove Einspline reference, Refer to manual
2018-12-10 17:07:29 -05:00
Paul R. C. Kent
9fe6ad30f5
Update dependencies in README.md
...
Minimum versions enforced in #1235
2018-12-10 16:10:31 -05:00
Paul Kent
3ae2304029
Update test descriptions
2018-11-07 16:38:39 -05:00
Paul R. C. Kent
2a578e8548
Update documentation link
2018-10-25 11:09:29 -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
e21933cd3c
Replace residual MKL_HOME with MKL_ROOT.
2018-07-19 08:35:42 -05:00
Paul R. C. Kent
f76cd6d66e
Missed section close
2018-04-06 17:08:23 -04:00
Paul Kent
429b57d95b
Update README.md consistent with current options
2018-04-06 17:06:04 -04:00
Paul R. C. Kent
9463c45d1c
Improve wording. Also add links to Google Group.
2018-03-23 15:19:52 -04:00
Paul Kent
4c70d83017
Clarify license for contributions
2018-03-23 13:39:43 -04:00
Graham Lopez
b32d3490af
removed trailing whitespace from README.md
2017-11-17 07:54:59 -07:00
Paul R. C. Kent
dad1e8214a
Update README.md
2017-06-19 14:04:33 -04:00
Paul Kent
004632659c
Use code block due to lack of multiline tables in markdown
2017-06-19 14:02:55 -04:00
Paul Kent
f717a05576
Formatting table test
2017-06-19 13:57:56 -04:00