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adapt 32bit integer DIRAC-CASPT2-CI-test #877: Pull request #176 synchronize by kohei-noda-qcrg
November 8, 2024 12:58 7m 1s adapt-32bit-integer
adapt-32bit-integer
November 8, 2024 12:58 7m 1s
read_mrconee: module_2integrals: required variables related to 1,2-el… DIRAC-CASPT2-CI-test #876: Commit d6c43fc pushed by kohei-noda-qcrg
November 8, 2024 12:58 2m 50s adapt-32bit-integer
adapt-32bit-integer
November 8, 2024 12:58 2m 50s
adapt 32bit integer DIRAC-CASPT2-CI-test #875: Pull request #176 opened by kohei-noda-qcrg
November 3, 2024 14:20 7m 20s adapt-32bit-integer
adapt-32bit-integer
November 3, 2024 14:20 7m 20s
use iso_fortran_env int32 for integer(4) variables DIRAC-CASPT2-CI-test #874: Commit faf537c pushed by kohei-noda-qcrg
November 3, 2024 14:13 3m 10s adapt-32bit-integer
adapt-32bit-integer
November 3, 2024 14:13 3m 10s
use iso_fortran_env int64 for variables related to dict DIRAC-CASPT2-CI-test #873: Commit b379a2f pushed by kohei-noda-qcrg
November 3, 2024 14:05 2m 33s adapt-32bit-integer
adapt-32bit-integer
November 3, 2024 14:05 2m 33s
add required files check routine DIRAC-CASPT2-CI-test #872: Pull request #175 opened by kohei-noda-qcrg
November 2, 2024 15:13 7m 14s subprgrams-required-files-check
subprgrams-required-files-check
November 2, 2024 15:13 7m 14s
read_input_module: check the existence of CIDATA file DIRAC-CASPT2-CI-test #871: Commit f6d3f41 pushed by kohei-noda-qcrg
November 2, 2024 15:00 2m 45s subprgrams-required-files-check
subprgrams-required-files-check
November 2, 2024 15:00 2m 45s
read_input_module: add check_reqired_files_exist() DIRAC-CASPT2-CI-test #870: Commit bf2b650 pushed by kohei-noda-qcrg
November 1, 2024 23:26 2m 24s subprgrams-required-files-check
subprgrams-required-files-check
November 1, 2024 23:26 2m 24s
make binary into one DIRAC-CASPT2-CI-test #869: Pull request #174 opened by kohei-noda-qcrg
October 31, 2024 14:35 7m 4s make-binary-into-one
make-binary-into-one
October 31, 2024 14:35 7m 4s
dcaspt2_run_subprograms: call print_head at the beginning of the program DIRAC-CASPT2-CI-test #868: Commit 401e7a3 pushed by kohei-noda-qcrg
October 31, 2024 14:15 3m 2s make-binary-into-one
make-binary-into-one
October 31, 2024 14:15 3m 2s
dcaspt2_run_subprograms: call check_realonly on run_subprograms subro… DIRAC-CASPT2-CI-test #867: Commit 05aca82 pushed by kohei-noda-qcrg
October 31, 2024 13:39 2m 52s make-binary-into-one
make-binary-into-one
October 31, 2024 13:39 2m 52s
dcapst2_input: simplify --omp option DIRAC-CASPT2-CI-test #866: Commit 613478d pushed by kohei-noda-qcrg
October 31, 2024 13:10 4m 16s make-binary-into-one
make-binary-into-one
October 31, 2024 13:10 4m 16s
dcaspt2_input: don't define OMP_NUM_THREADS environment variable if v… DIRAC-CASPT2-CI-test #865: Commit cd72001 pushed by kohei-noda-qcrg
October 31, 2024 09:23 2m 44s make-binary-into-one
make-binary-into-one
October 31, 2024 09:23 2m 44s
dcaspt2_input: refactor --scratchdir option, define default values as… DIRAC-CASPT2-CI-test #864: Commit 6ee839e pushed by kohei-noda-qcrg
October 31, 2024 09:21 2m 43s make-binary-into-one
make-binary-into-one
October 31, 2024 09:21 2m 43s
dcaspt2_input: default output filename is always dirac_caspt2.out DIRAC-CASPT2-CI-test #863: Commit f2e6730 pushed by kohei-noda-qcrg
October 31, 2024 09:17 3m 10s make-binary-into-one
make-binary-into-one
October 31, 2024 09:17 3m 10s
refactor memory [de]allocation DIRAC-CASPT2-CI-test #862: Commit d936ae3 pushed by kohei-noda-qcrg
October 30, 2024 14:33 2m 29s make-binary-into-one
make-binary-into-one
October 30, 2024 14:33 2m 29s
r4divo: remove MPI initialization and finalization DIRAC-CASPT2-CI-test #861: Commit d20c087 pushed by kohei-noda-qcrg
October 27, 2024 12:37 2m 56s make-binary-into-one
make-binary-into-one
October 27, 2024 12:37 2m 56s
make binary into one (r4dcaspt2exe) DIRAC-CASPT2-CI-test #860: Commit c2d4082 pushed by kohei-noda-qcrg
October 27, 2024 12:31 2m 43s make-binary-into-one
make-binary-into-one
October 27, 2024 12:31 2m 43s
read_input_module: add a period at the beginning of each option DIRAC-CASPT2-CI-test #859: Commit aec7109 pushed by kohei-noda-qcrg
October 27, 2024 09:41 3m 3s make-binary-into-one
make-binary-into-one
October 27, 2024 09:41 3m 3s
Merge pull request #173 from RQC-HU/new-cimat-format DIRAC-CASPT2-CI-test #858: Commit da8e819 pushed by kohei-noda-qcrg
October 23, 2024 12:28 7m 18s main
main
October 23, 2024 12:28 7m 18s
new cimat format DIRAC-CASPT2-CI-test #857: Pull request #173 synchronize by kohei-noda-qcrg
October 23, 2024 12:20 6m 55s new-cimat-format
new-cimat-format
October 23, 2024 12:20 6m 55s
new cimat format DIRAC-CASPT2-CI-test #856: Pull request #173 opened by kohei-noda-qcrg
October 23, 2024 12:04 7m 10s new-cimat-format
new-cimat-format
October 23, 2024 12:04 7m 10s
rename CIMAT to CIDATA DIRAC-CASPT2-CI-test #855: Commit c7829c1 pushed by kohei-noda-qcrg
October 23, 2024 11:49 2m 59s new-cimat-format
new-cimat-format
October 23, 2024 11:49 2m 59s
read_cimat: write ninact, nact, nsec, and nelec to the CIMAT DIRAC-CASPT2-CI-test #854: Commit 236de90 pushed by kohei-noda-qcrg
October 23, 2024 11:42 3m 10s new-cimat-format
new-cimat-format
October 23, 2024 11:42 3m 10s
module_essential_input: add functions to get input idx and input is s… DIRAC-CASPT2-CI-test #853: Commit 5ac6b59 pushed by kohei-noda-qcrg
October 18, 2024 15:01 5m 18s new-cimat-format
new-cimat-format
October 18, 2024 15:01 5m 18s