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55 Commits

Author SHA1 Message Date
Ye Luo 7c8ef1cac3 Raise CMake minimum to 3.17 
Policy CMP0099 is set to NEW by default.
 2022-05-03 08:00:33 -05:00
Paul R. C. Kent bb0cfd5f38
Update spack version shield 2022-04-29 12:40:14 -04:00
Paul Kent 01e631f757 CUDA minver in docs 2022-04-24 12:12:28 -04:00
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 
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