comp-chem/NWChem
1
0
Fork 0
mirror of https://github.com/nwchemgit/nwchem.git synced 2026-07-28 22:25:48 -04:00
Code Issues Projects Releases Packages Wiki Activity Actions 1

comment syntax

Browse source
This commit is contained in:
Jeff Hammond 2023-10-10 15:53:05 +03:00
parent 4faf45c1b0
commit e38ca4a4f2
1 changed files with 12 additions and 6 deletions
Download patch file Download diff file Expand all files Collapse all files

18
src/tce/ccsd/ccsd_t2.F
View file

@ -270,6 +270,9 @@ c -----------------------
CALL DELETEFILE(d_i1)
IF (.not.MA_POP_STACK(l_i1_offset))
1 CALL ERRQUIT('ccsd_t2',-1,MA_ERR)
!
!
!
CALL OFFSET_ccsd_t2_7_1(l_i1_offset,k_i1_offset,size_i1)
CALL TCE_FILENAME('ccsd_t2_7_1_i1',filename)
CALL CREATEFILE(filename,d_i1,size_i1)
@ -283,6 +286,9 @@ c -----------------------
CALL DELETEFILE(d_i1)
IF (.not.MA_POP_STACK(l_i1_offset))
1 CALL ERRQUIT('ccsd_t2',-1,MA_ERR)
!
!
!
CALL OFFSET_vt1t1_1_1(l_i1_offset,k_i1_offset,size_i1)
CALL TCE_FILENAME('vt1t1_1_1_i1',filename)
CALL CREATEFILE(filename,d_i1,size_i1)
@ -295,9 +301,9 @@ c -----------------------
CALL c2f_t2_t12(d_t1,k_t1_offset,d_t2,k_t2_offset)
cpu = - util_cpusec()
wall = - util_wallsec()
c
c
c
!
!
!
if (.not.rtdb_get(rtdb,'tce:ccsd_t2_8_alg',mt_int,1,
1 ccsd_t2_8_alg)) then
ccsd_t2_8_alg = 2
@ -333,9 +339,9 @@ c
else
CALL errquit('ccsd_t2_8_alg',ccsd_t2_8_alg,INPUT_ERR)
endif
c
c
c
!
!
!
cpu = cpu + util_cpusec()
wall = wall + util_wallsec()
cpusecs(37) = cpu