|
Name |
|
Date |
Size |
#Lines |
LOC |
| .. | | 03-May-2022 | - |
| 0README | H A D | 05-Oct-2021 | 1.3 KiB | 28 | 20 |
| action.f | H A D | 05-Oct-2021 | 2.6 KiB | 58 | 12 |
| active.f | H A D | 05-Oct-2021 | 6.9 KiB | 246 | 187 |
| alchemy.f | H A D | 05-Oct-2021 | 15.9 KiB | 518 | 409 |
| align.f | H A D | 05-Oct-2021 | 961 | 27 | 7 |
| alterchg.f | H A D | 05-Oct-2021 | 6.7 KiB | 242 | 152 |
| analysis.f | H A D | 05-Oct-2021 | 7.2 KiB | 268 | 198 |
| analyz.f | H A D | 05-Oct-2021 | 3.4 KiB | 79 | 33 |
| analyze.f | H A D | 05-Oct-2021 | 90.8 KiB | 2,773 | 2,333 |
| angang.f | H A D | 05-Oct-2021 | 915 | 27 | 7 |
| angbnd.f | H A D | 05-Oct-2021 | 1.1 KiB | 31 | 9 |
| angles.f | H A D | 05-Oct-2021 | 2.6 KiB | 88 | 54 |
| angpot.f | H A D | 05-Oct-2021 | 2.1 KiB | 51 | 15 |
| angtor.f | H A D | 05-Oct-2021 | 967 | 27 | 7 |
| anneal.f | H A D | 05-Oct-2021 | 9.2 KiB | 305 | 227 |
| archive.f | H A D | 05-Oct-2021 | 16.9 KiB | 549 | 451 |
| argue.f | H A D | 05-Oct-2021 | 1,022 | 31 | 9 |
| ascii.f | H A D | 05-Oct-2021 | 4.1 KiB | 102 | 53 |
| atmlst.f | H A D | 05-Oct-2021 | 966 | 27 | 7 |
| atomid.f | H A D | 05-Oct-2021 | 1.3 KiB | 36 | 12 |
| atoms.f | H A D | 05-Oct-2021 | 1 KiB | 32 | 10 |
| attach.f | H A D | 05-Oct-2021 | 4.1 KiB | 139 | 105 |
| baoab.f | H A D | 05-Oct-2021 | 6.3 KiB | 238 | 143 |
| bar.f | H A D | 05-Oct-2021 | 35.5 KiB | 1,202 | 980 |
| basefile.f | H A D | 05-Oct-2021 | 2.4 KiB | 84 | 42 |
| bath.f | H A D | 05-Oct-2021 | 2.5 KiB | 61 | 21 |
| beeman.f | H A D | 05-Oct-2021 | 4.7 KiB | 167 | 93 |
| bicubic.f | H A D | 05-Oct-2021 | 8.4 KiB | 235 | 143 |
| bitor.f | H A D | 05-Oct-2021 | 817 | 25 | 6 |
| bitors.f | H A D | 05-Oct-2021 | 2.1 KiB | 70 | 43 |
| bndpot.f | H A D | 05-Oct-2021 | 981 | 29 | 8 |
| bndstr.f | H A D | 05-Oct-2021 | 1 KiB | 29 | 8 |
| bonds.f | H A D | 05-Oct-2021 | 1.9 KiB | 67 | 41 |
| born.f | H A D | 05-Oct-2021 | 33.9 KiB | 1,019 | 843 |
| bound.f | H A D | 05-Oct-2021 | 1.1 KiB | 31 | 9 |
| bounds.f | H A D | 05-Oct-2021 | 3.8 KiB | 123 | 88 |
| boxes.f | H A D | 05-Oct-2021 | 2.8 KiB | 70 | 25 |
| bussi.f | H A D | 05-Oct-2021 | 6 KiB | 212 | 128 |
| calendar.f | H A D | 05-Oct-2021 | 1.5 KiB | 53 | 18 |
| cell.f | H A D | 05-Oct-2021 | 1.3 KiB | 37 | 12 |
| center.f | H A D | 05-Oct-2021 | 2.1 KiB | 79 | 51 |
| cflux.f | H A D | 05-Oct-2021 | 1.1 KiB | 31 | 9 |
| charge.f | H A D | 05-Oct-2021 | 1.2 KiB | 33 | 10 |
| chgpen.f | H A D | 05-Oct-2021 | 1.2 KiB | 31 | 9 |
| chgpot.f | H A D | 05-Oct-2021 | 1.5 KiB | 37 | 10 |
| chgtrn.f | H A D | 05-Oct-2021 | 999 | 27 | 7 |
| chkpole.f | H A D | 05-Oct-2021 | 2.2 KiB | 76 | 47 |
| chkring.f | H A D | 05-Oct-2021 | 7.2 KiB | 258 | 217 |
| chkxyz.f | H A D | 05-Oct-2021 | 1.7 KiB | 59 | 33 |
| cholesky.f | H A D | 05-Oct-2021 | 3 KiB | 112 | 74 |
| chrono.f | H A D | 05-Oct-2021 | 822 | 25 | 6 |
| chunks.f | H A D | 05-Oct-2021 | 1.5 KiB | 37 | 9 |
| clock.f | H A D | 05-Oct-2021 | 2.1 KiB | 71 | 29 |
| cluster.f | H A D | 05-Oct-2021 | 7.8 KiB | 280 | 209 |
| column.f | H A D | 05-Oct-2021 | 2 KiB | 75 | 40 |
| command.f | H A D | 05-Oct-2021 | 1.7 KiB | 63 | 33 |
| connect.f | H A D | 05-Oct-2021 | 1.9 KiB | 73 | 40 |
| connolly.f | H A D | 05-Oct-2021 | 101.3 KiB | 3,742 | 2,349 |
| control.f | H A D | 05-Oct-2021 | 2.6 KiB | 88 | 59 |
| correlate.f | H A D | 05-Oct-2021 | 13.3 KiB | 453 | 313 |
| couple.f | H A D | 05-Oct-2021 | 1.4 KiB | 38 | 13 |
| critical.f | H A D | 05-Oct-2021 | 10.4 KiB | 375 | 262 |
| crystal.f | H A D | 05-Oct-2021 | 234 KiB | 6,827 | 6,296 |
| cspline.f | H A D | 05-Oct-2021 | 7.5 KiB | 286 | 167 |
| ctrpot.f | H A D | 05-Oct-2021 | 746 | 22 | 4 |
| cutoffs.f | H A D | 05-Oct-2021 | 11.2 KiB | 342 | 264 |
| damping.f | H A D | 05-Oct-2021 | 33.2 KiB | 905 | 683 |
| dcflux.f | H A D | 05-Oct-2021 | 5.4 KiB | 193 | 148 |
| deflate.f | H A D | 05-Oct-2021 | 3.7 KiB | 129 | 73 |
| delete.f | H A D | 05-Oct-2021 | 1.9 KiB | 73 | 41 |
| deriv.f | H A D | 05-Oct-2021 | 3.5 KiB | 79 | 33 |
| diagq.f | H A D | 05-Oct-2021 | 10.9 KiB | 406 | 346 |
| diffeq.f | H A D | 05-Oct-2021 | 14.3 KiB | 518 | 337 |
| diffuse.f | H A D | 05-Oct-2021 | 10.2 KiB | 354 | 268 |
| dipole.f | H A D | 05-Oct-2021 | 1,009 | 29 | 8 |
| disgeo.f | H A D | 05-Oct-2021 | 1.3 KiB | 35 | 11 |
| disp.f | H A D | 05-Oct-2021 | 1.1 KiB | 31 | 9 |
| distgeom.f | H A D | 05-Oct-2021 | 20.4 KiB | 684 | 549 |
| dma.f | H A D | 05-Oct-2021 | 1.5 KiB | 39 | 13 |
| document.f | H A D | 05-Oct-2021 | 16.5 KiB | 474 | 402 |
| domega.f | H A D | 05-Oct-2021 | 3.2 KiB | 79 | 33 |
| dsppot.f | H A D | 05-Oct-2021 | 1.1 KiB | 31 | 9 |
| dynamic.f | H A D | 05-Oct-2021 | 9.8 KiB | 299 | 239 |
| eangang.f | H A D | 05-Oct-2021 | 4.2 KiB | 156 | 99 |
| eangang1.f | H A D | 05-Oct-2021 | 7.9 KiB | 252 | 181 |
| eangang2.f | H A D | 05-Oct-2021 | 10.9 KiB | 372 | 279 |
| eangang3.f | H A D | 05-Oct-2021 | 5.7 KiB | 199 | 133 |
| eangle.f | H A D | 05-Oct-2021 | 6.7 KiB | 220 | 153 |
| eangle1.f | H A D | 05-Oct-2021 | 13.5 KiB | 389 | 297 |
| eangle2.f | H A D | 05-Oct-2021 | 30.7 KiB | 818 | 670 |
| eangle3.f | H A D | 05-Oct-2021 | 9.4 KiB | 293 | 215 |
| eangtor.f | H A D | 05-Oct-2021 | 5.6 KiB | 197 | 136 |
| eangtor1.f | H A D | 05-Oct-2021 | 12.1 KiB | 352 | 272 |
| eangtor2.f | H A D | 05-Oct-2021 | 82.5 KiB | 1,666 | 1,556 |
| eangtor3.f | H A D | 05-Oct-2021 | 7.3 KiB | 244 | 175 |
| ebond.f | H A D | 05-Oct-2021 | 2.9 KiB | 104 | 46 |
| ebond1.f | H A D | 05-Oct-2021 | 4.6 KiB | 156 | 91 |
| ebond2.f | H A D | 05-Oct-2021 | 4.1 KiB | 134 | 87 |
| ebond3.f | H A D | 05-Oct-2021 | 4.3 KiB | 146 | 80 |
| ebuck.f | H A D | 05-Oct-2021 | 24.5 KiB | 883 | 597 |
| ebuck1.f | H A D | 05-Oct-2021 | 35.8 KiB | 1,178 | 866 |
| ebuck2.f | H A D | 05-Oct-2021 | 25.9 KiB | 690 | 544 |
| ebuck3.f | H A D | 05-Oct-2021 | 32.6 KiB | 1,110 | 786 |
| echarge.f | H A D | 05-Oct-2021 | 48.9 KiB | 1,801 | 1,260 |
| echarge1.f | H A D | 05-Oct-2021 | 71.1 KiB | 2,431 | 1,795 |
| echarge2.f | H A D | 05-Oct-2021 | 40.7 KiB | 1,415 | 995 |
| echarge3.f | H A D | 05-Oct-2021 | 62.9 KiB | 2,156 | 1,594 |
| echgdpl.f | H A D | 05-Oct-2021 | 6.1 KiB | 215 | 141 |
| echgdpl1.f | H A D | 05-Oct-2021 | 13.3 KiB | 389 | 295 |
| echgdpl2.f | H A D | 05-Oct-2021 | 71.6 KiB | 1,471 | 1,312 |
| echgdpl3.f | H A D | 05-Oct-2021 | 9.2 KiB | 295 | 204 |
| echgtrn.f | H A D | 05-Oct-2021 | 20.1 KiB | 728 | 508 |
| echgtrn1.f | H A D | 05-Oct-2021 | 19.4 KiB | 641 | 460 |
| echgtrn2.f | H A D | 05-Oct-2021 | 12.7 KiB | 390 | 303 |
| echgtrn3.f | H A D | 05-Oct-2021 | 27 KiB | 923 | 665 |
| edipole.f | H A D | 05-Oct-2021 | 6.7 KiB | 214 | 148 |
| edipole1.f | H A D | 05-Oct-2021 | 16.9 KiB | 449 | 352 |
| edipole2.f | H A D | 05-Oct-2021 | 73.5 KiB | 1,370 | 1,271 |
| edipole3.f | H A D | 05-Oct-2021 | 10.1 KiB | 302 | 220 |
| edisp.f | H A D | 05-Oct-2021 | 42.4 KiB | 1,440 | 1,005 |
| edisp1.f | H A D | 05-Oct-2021 | 58.3 KiB | 1,862 | 1,375 |
| edisp2.f | H A D | 05-Oct-2021 | 16.4 KiB | 481 | 376 |
| edisp3.f | H A D | 05-Oct-2021 | 49.7 KiB | 1,620 | 1,166 |
| egauss.f | H A D | 05-Oct-2021 | 28.4 KiB | 1,027 | 713 |
| egauss1.f | H A D | 05-Oct-2021 | 42.5 KiB | 1,405 | 1,056 |
| egauss2.f | H A D | 05-Oct-2021 | 35.4 KiB | 973 | 792 |
| egauss3.f | H A D | 05-Oct-2021 | 37.6 KiB | 1,285 | 927 |
| egeom.f | H A D | 05-Oct-2021 | 13 KiB | 446 | 389 |
| egeom1.f | H A D | 05-Oct-2021 | 26.4 KiB | 848 | 694 |
| egeom2.f | H A D | 05-Oct-2021 | 72.7 KiB | 1,686 | 1,530 |
| egeom3.f | H A D | 05-Oct-2021 | 20.6 KiB | 633 | 576 |
| ehal.f | H A D | 05-Oct-2021 | 25.8 KiB | 908 | 626 |
| ehal1.f | H A D | 05-Oct-2021 | 39 KiB | 1,249 | 940 |
| ehal2.f | H A D | 05-Oct-2021 | 23.4 KiB | 606 | 501 |
| ehal3.f | H A D | 05-Oct-2021 | 34 KiB | 1,138 | 819 |
| eimprop.f | H A D | 05-Oct-2021 | 4.4 KiB | 160 | 102 |
| eimprop1.f | H A D | 05-Oct-2021 | 7.8 KiB | 249 | 181 |
| eimprop2.f | H A D | 05-Oct-2021 | 31.5 KiB | 674 | 615 |
| eimprop3.f | H A D | 05-Oct-2021 | 5.9 KiB | 203 | 137 |
| eimptor.f | H A D | 05-Oct-2021 | 4.7 KiB | 169 | 108 |
| eimptor1.f | H A D | 05-Oct-2021 | 8.2 KiB | 259 | 188 |
| eimptor2.f | H A D | 05-Oct-2021 | 32 KiB | 686 | 624 |
| eimptor3.f | H A D | 05-Oct-2021 | 6.3 KiB | 216 | 147 |
| elj.f | H A D | 05-Oct-2021 | 30.6 KiB | 1,102 | 744 |
| elj1.f | H A D | 05-Oct-2021 | 44.3 KiB | 1,463 | 1,077 |
| elj2.f | H A D | 05-Oct-2021 | 36.6 KiB | 1,000 | 795 |
| elj3.f | H A D | 05-Oct-2021 | 40.4 KiB | 1,381 | 976 |
| embed.f | H A D | 05-Oct-2021 | 109.6 KiB | 3,684 | 2,607 |
| emetal.f | H A D | 05-Oct-2021 | 5.5 KiB | 166 | 119 |
| emetal1.f | H A D | 05-Oct-2021 | 12.1 KiB | 304 | 249 |
| emetal2.f | H A D | 05-Oct-2021 | 876 | 28 | 5 |
| emetal3.f | H A D | 05-Oct-2021 | 1.3 KiB | 48 | 22 |
| emm3hb.f | H A D | 05-Oct-2021 | 31.7 KiB | 1,067 | 785 |
| emm3hb1.f | H A D | 05-Oct-2021 | 54 KiB | 1,620 | 1,290 |
| emm3hb2.f | H A D | 05-Oct-2021 | 28.7 KiB | 747 | 625 |
| emm3hb3.f | H A D | 05-Oct-2021 | 39.6 KiB | 1,290 | 975 |
| empole.f | H A D | 05-Oct-2021 | 60.6 KiB | 1,936 | 1,424 |
| empole1.f | H A D | 05-Oct-2021 | 135.5 KiB | 4,003 | 3,223 |
| empole2.f | H A D | 05-Oct-2021 | 33.5 KiB | 996 | 808 |
| empole3.f | H A D | 05-Oct-2021 | 68.2 KiB | 2,097 | 1,597 |
| energi.f | H A D | 05-Oct-2021 | 2.5 KiB | 60 | 14 |
| energy.f | H A D | 05-Oct-2021 | 3.9 KiB | 148 | 91 |
| eopbend.f | H A D | 05-Oct-2021 | 4.8 KiB | 169 | 107 |
| eopbend1.f | H A D | 05-Oct-2021 | 9.4 KiB | 279 | 207 |
| eopbend2.f | H A D | 05-Oct-2021 | 11.2 KiB | 376 | 283 |
| eopbend3.f | H A D | 05-Oct-2021 | 6.2 KiB | 210 | 140 |
| eopdist.f | H A D | 05-Oct-2021 | 3.5 KiB | 132 | 76 |
| eopdist1.f | H A D | 05-Oct-2021 | 6.4 KiB | 211 | 142 |
| eopdist2.f | H A D | 05-Oct-2021 | 16.2 KiB | 403 | 356 |
| eopdist3.f | H A D | 05-Oct-2021 | 5 KiB | 174 | 110 |
| epitors.f | H A D | 05-Oct-2021 | 5.4 KiB | 192 | 134 |
| epitors1.f | H A D | 05-Oct-2021 | 10.4 KiB | 312 | 241 |
| epitors2.f | H A D | 05-Oct-2021 | 12.3 KiB | 405 | 317 |
| epitors3.f | H A D | 05-Oct-2021 | 7.2 KiB | 241 | 175 |
| epolar.f | H A D | 05-Oct-2021 | 61.6 KiB | 2,059 | 1,514 |
| epolar1.f | H A D | 05-Oct-2021 | 385.1 KiB | 9,610 | 8,623 |
| epolar2.f | H A D | 05-Oct-2021 | 103.5 KiB | 2,537 | 2,270 |
| epolar3.f | H A D | 05-Oct-2021 | 66.9 KiB | 2,169 | 1,654 |
| erepel.f | H A D | 05-Oct-2021 | 24.8 KiB | 809 | 570 |
| erepel1.f | H A D | 05-Oct-2021 | 57.4 KiB | 1,610 | 1,255 |
| erepel2.f | H A D | 05-Oct-2021 | 33 KiB | 921 | 713 |
| erepel3.f | H A D | 05-Oct-2021 | 29.7 KiB | 944 | 679 |
| erf.f | H A D | 05-Oct-2021 | 9.1 KiB | 278 | 146 |
| erxnfld.f | H A D | 05-Oct-2021 | 28.6 KiB | 843 | 707 |
| erxnfld1.f | H A D | 05-Oct-2021 | 1.1 KiB | 37 | 14 |
| erxnfld2.f | H A D | 05-Oct-2021 | 852 | 26 | 5 |
| erxnfld3.f | H A D | 05-Oct-2021 | 4.3 KiB | 144 | 95 |
| esolv.f | H A D | 05-Oct-2021 | 62.5 KiB | 1,974 | 1,360 |
| esolv1.f | H A D | 05-Oct-2021 | 222 KiB | 5,256 | 4,338 |
| esolv2.f | H A D | 05-Oct-2021 | 16.2 KiB | 579 | 379 |
| esolv3.f | H A D | 05-Oct-2021 | 71.8 KiB | 2,282 | 1,620 |
| estrbnd.f | H A D | 05-Oct-2021 | 3.6 KiB | 136 | 78 |
| estrbnd1.f | H A D | 05-Oct-2021 | 6.9 KiB | 233 | 162 |
| estrbnd2.f | H A D | 05-Oct-2021 | 20.4 KiB | 455 | 390 |
| estrbnd3.f | H A D | 05-Oct-2021 | 5 KiB | 178 | 112 |
| estrtor.f | H A D | 05-Oct-2021 | 5.7 KiB | 201 | 137 |
| estrtor1.f | H A D | 05-Oct-2021 | 13.3 KiB | 388 | 296 |
| estrtor2.f | H A D | 05-Oct-2021 | 87.4 KiB | 1,755 | 1,660 |
| estrtor3.f | H A D | 05-Oct-2021 | 7.4 KiB | 250 | 178 |
| etors.f | H A D | 05-Oct-2021 | 12.9 KiB | 443 | 316 |
| etors1.f | H A D | 05-Oct-2021 | 20.7 KiB | 638 | 489 |
| etors2.f | H A D | 05-Oct-2021 | 68.4 KiB | 1,505 | 1,363 |
| etors3.f | H A D | 05-Oct-2021 | 16.1 KiB | 538 | 395 |
| etortor.f | H A D | 05-Oct-2021 | 9.4 KiB | 318 | 232 |
| etortor1.f | H A D | 05-Oct-2021 | 13.3 KiB | 380 | 308 |
| etortor2.f | H A D | 05-Oct-2021 | 82.1 KiB | 1,570 | 1,496 |
| etortor3.f | H A D | 05-Oct-2021 | 8.4 KiB | 274 | 211 |
| eurey.f | H A D | 05-Oct-2021 | 2.4 KiB | 91 | 39 |
| eurey1.f | H A D | 05-Oct-2021 | 3.9 KiB | 136 | 80 |
| eurey2.f | H A D | 05-Oct-2021 | 3.3 KiB | 111 | 73 |
| eurey3.f | H A D | 05-Oct-2021 | 3.9 KiB | 135 | 75 |
| evcorr.f | H A D | 05-Oct-2021 | 10.7 KiB | 372 | 274 |
| ewald.f | H A D | 05-Oct-2021 | 1.1 KiB | 31 | 9 |
| extra.f | H A D | 05-Oct-2021 | 922 | 35 | 6 |
| extra1.f | H A D | 05-Oct-2021 | 1.3 KiB | 49 | 14 |
| extra2.f | H A D | 05-Oct-2021 | 1 KiB | 37 | 7 |
| extra3.f | H A D | 05-Oct-2021 | 1.1 KiB | 45 | 14 |
| faces.f | H A D | 05-Oct-2021 | 5.6 KiB | 208 | 68 |
| fatal.f | H A D | 05-Oct-2021 | 1.1 KiB | 36 | 9 |
| fft.f | H A D | 05-Oct-2021 | 1.2 KiB | 35 | 11 |
| fft3d.f | H A D | 05-Oct-2021 | 7.4 KiB | 240 | 122 |
| fftpack.f | H A D | 05-Oct-2021 | 33.9 KiB | 1,186 | 983 |
| field.f | H A D | 05-Oct-2021 | 3.3 KiB | 119 | 86 |
| fields.f | H A D | 05-Oct-2021 | 858 | 25 | 6 |
| files.f | H A D | 05-Oct-2021 | 1 KiB | 30 | 8 |
| final.f | H A D | 05-Oct-2021 | 33.5 KiB | 968 | 662 |
| flatten.f | H A D | 05-Oct-2021 | 4 KiB | 129 | 91 |
| fracs.f | H A D | 05-Oct-2021 | 971 | 27 | 7 |
| freefix.f | H A D | 05-Oct-2021 | 13.8 KiB | 422 | 310 |
| freeunit.f | H A D | 05-Oct-2021 | 1.4 KiB | 46 | 21 |
| freeze.f | H A D | 05-Oct-2021 | 1.5 KiB | 38 | 12 |
| gda.f | H A D | 05-Oct-2021 | 12.1 KiB | 453 | 294 |
| geometry.f | H A D | 05-Oct-2021 | 2.8 KiB | 93 | 61 |
| getarc.f | H A D | 05-Oct-2021 | 2.1 KiB | 73 | 41 |
| getint.f | H A D | 05-Oct-2021 | 2.4 KiB | 85 | 47 |
| getkey.f | H A D | 05-Oct-2021 | 4.7 KiB | 168 | 121 |
| getmol.f | H A D | 05-Oct-2021 | 1.8 KiB | 63 | 34 |
| getmol2.f | H A D | 05-Oct-2021 | 1.8 KiB | 64 | 34 |
| getnumb.f | H A D | 05-Oct-2021 | 4 KiB | 131 | 91 |
| getpdb.f | H A D | 05-Oct-2021 | 1.8 KiB | 62 | 33 |
| getprm.f | H A D | 05-Oct-2021 | 4.7 KiB | 167 | 114 |
| getref.f | H A D | 05-Oct-2021 | 1.7 KiB | 63 | 34 |
| getstring.f | H A D | 05-Oct-2021 | 3.4 KiB | 118 | 74 |
| gettext.f | H A D | 05-Oct-2021 | 2.5 KiB | 89 | 48 |
| getword.f | H A D | 05-Oct-2021 | 2.9 KiB | 101 | 57 |
| getxyz.f | H A D | 05-Oct-2021 | 2.1 KiB | 73 | 41 |
| ghmcstep.f | H A D | 05-Oct-2021 | 7.7 KiB | 281 | 161 |
| gkstuf.f | H A D | 05-Oct-2021 | 810 | 24 | 6 |
| gradient.f | H A D | 05-Oct-2021 | 7.8 KiB | 280 | 214 |
| gradrgd.f | H A D | 05-Oct-2021 | 3.2 KiB | 118 | 71 |
| gradrot.f | H A D | 05-Oct-2021 | 8.6 KiB | 242 | 201 |
| group.f | H A D | 05-Oct-2021 | 1.5 KiB | 39 | 13 |
| groups.f | H A D | 05-Oct-2021 | 4.1 KiB | 137 | 89 |
| grpline.f | H A D | 05-Oct-2021 | 3.3 KiB | 115 | 83 |
| gyrate.f | H A D | 05-Oct-2021 | 1.4 KiB | 52 | 26 |
| hescut.f | H A D | 05-Oct-2021 | 730 | 23 | 5 |
| hessian.f | H A D | 05-Oct-2021 | 7.5 KiB | 254 | 172 |
| hessn.f | H A D | 05-Oct-2021 | 975 | 27 | 7 |
| hessrgd.f | H A D | 05-Oct-2021 | 2 KiB | 75 | 38 |
| hessrot.f | H A D | 05-Oct-2021 | 2.7 KiB | 94 | 53 |
| hpmf.f | H A D | 05-Oct-2021 | 2.5 KiB | 63 | 31 |
| hybrid.f | H A D | 05-Oct-2021 | 46.2 KiB | 1,527 | 1,238 |
| ielscf.f | H A D | 05-Oct-2021 | 1.7 KiB | 41 | 14 |
| image.f | H A D | 05-Oct-2021 | 10.5 KiB | 342 | 219 |
| impose.f | H A D | 05-Oct-2021 | 3 KiB | 103 | 58 |
| improp.f | H A D | 05-Oct-2021 | 1.1 KiB | 29 | 8 |
| imptor.f | H A D | 05-Oct-2021 | 1.2 KiB | 31 | 9 |
| induce.f | H A D | 05-Oct-2021 | 241.9 KiB | 7,400 | 5,943 |
| inertia.f | H A D | 05-Oct-2021 | 5.1 KiB | 177 | 119 |
| inform.f | H A D | 05-Oct-2021 | 1.4 KiB | 39 | 11 |
| initatom.f | H A D | 05-Oct-2021 | 7.6 KiB | 156 | 94 |
| initial.f | H A D | 05-Oct-2021 | 4.6 KiB | 226 | 97 |
| initprm.f | H A D | 05-Oct-2021 | 18.4 KiB | 667 | 561 |
| initres.f | H A D | 05-Oct-2021 | 11.3 KiB | 251 | 207 |
| initrot.f | H A D | 05-Oct-2021 | 10.4 KiB | 347 | 238 |
| insert.f | H A D | 05-Oct-2021 | 1.9 KiB | 74 | 39 |
| intedit.f | H A D | 05-Oct-2021 | 12.4 KiB | 392 | 296 |
| inter.f | H A D | 05-Oct-2021 | 739 | 23 | 5 |
| intxyz.f | H A D | 05-Oct-2021 | 1.4 KiB | 49 | 19 |
| invbeta.f | H A D | 05-Oct-2021 | 7.1 KiB | 241 | 142 |
| invert.f | H A D | 05-Oct-2021 | 3.2 KiB | 114 | 81 |
| iounit.f | H A D | 05-Oct-2021 | 798 | 25 | 6 |
| jacobi.f | H A D | 05-Oct-2021 | 4.9 KiB | 175 | 127 |
| kanang.f | H A D | 05-Oct-2021 | 773 | 23 | 5 |
| kangang.f | H A D | 05-Oct-2021 | 3.6 KiB | 124 | 92 |
| kangle.f | H A D | 05-Oct-2021 | 27.1 KiB | 861 | 735 |
| kangs.f | H A D | 05-Oct-2021 | 2.9 KiB | 76 | 34 |
| kangtor.f | H A D | 05-Oct-2021 | 7.4 KiB | 231 | 196 |
| kantor.f | H A D | 05-Oct-2021 | 983 | 29 | 8 |
| katom.f | H A D | 05-Oct-2021 | 8.6 KiB | 274 | 224 |
| katoms.f | H A D | 05-Oct-2021 | 1.2 KiB | 33 | 10 |
| kbond.f | H A D | 05-Oct-2021 | 19 KiB | 641 | 505 |
| kbonds.f | H A D | 05-Oct-2021 | 2.5 KiB | 65 | 28 |
| kcflux.f | H A D | 05-Oct-2021 | 1.4 KiB | 38 | 13 |
| kcharge.f | H A D | 05-Oct-2021 | 11.3 KiB | 376 | 300 |
| kchgflx.f | H A D | 05-Oct-2021 | 7.2 KiB | 254 | 215 |
| kchgtrn.f | H A D | 05-Oct-2021 | 6.1 KiB | 196 | 154 |
| kchrge.f | H A D | 05-Oct-2021 | 750 | 23 | 5 |
| kcpen.f | H A D | 05-Oct-2021 | 917 | 25 | 6 |
| kctrn.f | H A D | 05-Oct-2021 | 898 | 25 | 6 |
| kdipol.f | H A D | 05-Oct-2021 | 2.1 KiB | 58 | 24 |
| kdipole.f | H A D | 05-Oct-2021 | 11.7 KiB | 370 | 323 |
| kdisp.f | H A D | 05-Oct-2021 | 4.9 KiB | 168 | 126 |
| kdsp.f | H A D | 05-Oct-2021 | 897 | 25 | 6 |
| kewald.f | H A D | 05-Oct-2021 | 11.9 KiB | 395 | 289 |
| kextra.f | H A D | 05-Oct-2021 | 829 | 27 | 4 |
| keys.f | H A D | 05-Oct-2021 | 937 | 29 | 8 |
| kgeom.f | H A D | 05-Oct-2021 | 15.2 KiB | 455 | 396 |
| khbond.f | H A D | 05-Oct-2021 | 1 KiB | 31 | 9 |
| kimprop.f | H A D | 05-Oct-2021 | 10.9 KiB | 298 | 262 |
| kimptor.f | H A D | 05-Oct-2021 | 13 KiB | 343 | 304 |
| kinetic.f | H A D | 05-Oct-2021 | 6.3 KiB | 221 | 154 |
| kiprop.f | H A D | 05-Oct-2021 | 1 KiB | 31 | 9 |
| kitors.f | H A D | 05-Oct-2021 | 1.1 KiB | 33 | 10 |
| kmetal.f | H A D | 05-Oct-2021 | 862 | 27 | 4 |
| kmpole.f | H A D | 05-Oct-2021 | 22.7 KiB | 715 | 611 |
| kmulti.f | H A D | 05-Oct-2021 | 1 KiB | 31 | 9 |
| kopbend.f | H A D | 05-Oct-2021 | 11.5 KiB | 373 | 302 |
| kopbnd.f | H A D | 05-Oct-2021 | 980 | 29 | 8 |
| kopdist.f | H A D | 05-Oct-2021 | 6.2 KiB | 205 | 169 |
| kopdst.f | H A D | 05-Oct-2021 | 983 | 29 | 8 |
| korbit.f | H A D | 05-Oct-2021 | 9.9 KiB | 323 | 266 |
| korbs.f | H A D | 05-Oct-2021 | 2.1 KiB | 55 | 22 |
| kpitor.f | H A D | 05-Oct-2021 | 980 | 29 | 8 |
| kpitors.f | H A D | 05-Oct-2021 | 4.7 KiB | 158 | 123 |
| kpolar.f | H A D | 05-Oct-2021 | 24.2 KiB | 807 | 669 |
| kpolr.f | H A D | 05-Oct-2021 | 1 KiB | 29 | 8 |
| krepel.f | H A D | 05-Oct-2021 | 5.3 KiB | 181 | 136 |
| krepl.f | H A D | 05-Oct-2021 | 1,001 | 27 | 7 |
| ksolut.f | H A D | 05-Oct-2021 | 963 | 27 | 7 |
| ksolv.f | H A D | 05-Oct-2021 | 59.6 KiB | 1,885 | 1,550 |
| kstbnd.f | H A D | 05-Oct-2021 | 948 | 29 | 8 |
| kstrbnd.f | H A D | 05-Oct-2021 | 22.8 KiB | 630 | 530 |
| kstrtor.f | H A D | 05-Oct-2021 | 9.2 KiB | 284 | 249 |
| ksttor.f | H A D | 05-Oct-2021 | 971 | 29 | 8 |
| ktors.f | H A D | 05-Oct-2021 | 39.9 KiB | 1,222 | 1,103 |
| ktorsn.f | H A D | 05-Oct-2021 | 2.9 KiB | 73 | 31 |
| ktortor.f | H A D | 05-Oct-2021 | 8.7 KiB | 295 | 243 |
| ktrtor.f | H A D | 05-Oct-2021 | 1.8 KiB | 49 | 19 |
| kurey.f | H A D | 05-Oct-2021 | 4.4 KiB | 154 | 118 |
| kurybr.f | H A D | 05-Oct-2021 | 1 KiB | 31 | 9 |
| kvdw.f | H A D | 05-Oct-2021 | 21 KiB | 617 | 536 |
| kvdwpr.f | H A D | 05-Oct-2021 | 1 KiB | 31 | 9 |
| kvdws.f | H A D | 05-Oct-2021 | 1.2 KiB | 31 | 9 |
| lattice.f | H A D | 05-Oct-2021 | 3.7 KiB | 129 | 88 |
| lbfgs.f | H A D | 05-Oct-2021 | 12.5 KiB | 429 | 304 |
| light.f | H A D | 05-Oct-2021 | 2 KiB | 47 | 17 |
| lights.f | H A D | 05-Oct-2021 | 11.7 KiB | 408 | 318 |
| limits.f | H A D | 05-Oct-2021 | 2.8 KiB | 62 | 19 |
| linmin.f | H A D | 05-Oct-2021 | 1.2 KiB | 33 | 10 |
| lusolve.f | H A D | 05-Oct-2021 | 3.8 KiB | 143 | 101 |
| makeint.f | H A D | 05-Oct-2021 | 12 KiB | 400 | 299 |
| makeref.f | H A D | 05-Oct-2021 | 2.4 KiB | 80 | 48 |
| makexyz.f | H A D | 05-Oct-2021 | 1.2 KiB | 44 | 21 |
| math.f | H A D | 05-Oct-2021 | 1.8 KiB | 46 | 19 |
| maxwell.f | H A D | 05-Oct-2021 | 1.8 KiB | 61 | 23 |
| mdinit.f | H A D | 05-Oct-2021 | 13.6 KiB | 437 | 354 |
| mdrest.f | H A D | 05-Oct-2021 | 9.1 KiB | 305 | 237 |
| mdsave.f | H A D | 05-Oct-2021 | 9.1 KiB | 287 | 226 |
| mdstat.f | H A D | 05-Oct-2021 | 10.7 KiB | 320 | 263 |
| mdstuf.f | H A D | 05-Oct-2021 | 1.2 KiB | 33 | 10 |
| mechanic.f | H A D | 05-Oct-2021 | 3.1 KiB | 137 | 63 |
| merck.f | H A D | 05-Oct-2021 | 9.6 KiB | 223 | 86 |
| merge.f | H A D | 05-Oct-2021 | 1.7 KiB | 63 | 33 |
| minima.f | H A D | 05-Oct-2021 | 999 | 29 | 8 |
| minimize.f | H A D | 05-Oct-2021 | 8.3 KiB | 304 | 196 |
| minirot.f | H A D | 05-Oct-2021 | 6.7 KiB | 239 | 137 |
| minrigid.f | H A D | 05-Oct-2021 | 6.7 KiB | 247 | 149 |
| mol2xyz.f | H A D | 05-Oct-2021 | 1.3 KiB | 48 | 19 |
| molcul.f | H A D | 05-Oct-2021 | 1.2 KiB | 33 | 10 |
| moldyn.f | H A D | 05-Oct-2021 | 970 | 27 | 7 |
| molecule.f | H A D | 05-Oct-2021 | 3.7 KiB | 144 | 94 |
| molxyz.f | H A D | 05-Oct-2021 | 1.3 KiB | 48 | 19 |
| moment.f | H A D | 05-Oct-2021 | 1.7 KiB | 42 | 10 |
| moments.f | H A D | 05-Oct-2021 | 9.4 KiB | 324 | 234 |
| monte.f | H A D | 05-Oct-2021 | 20.9 KiB | 775 | 535 |
| mplpot.f | H A D | 05-Oct-2021 | 1.1 KiB | 31 | 8 |
| mpole.f | H A D | 05-Oct-2021 | 2.1 KiB | 51 | 19 |
| mrecip.f | H A D | 05-Oct-2021 | 1.5 KiB | 37 | 10 |
| mutant.f | H A D | 05-Oct-2021 | 2 KiB | 49 | 18 |
| mutate.f | H A D | 05-Oct-2021 | 11.6 KiB | 399 | 280 |
| nblist.f | H A D | 05-Oct-2021 | 50.9 KiB | 1,936 | 1,263 |
| neigh.f | H A D | 05-Oct-2021 | 4 KiB | 86 | 32 |
| newton.f | H A D | 05-Oct-2021 | 10.7 KiB | 395 | 267 |
| newtrot.f | H A D | 05-Oct-2021 | 9.7 KiB | 350 | 215 |
| nextarg.f | H A D | 05-Oct-2021 | 1.4 KiB | 48 | 22 |
| nexttext.f | H A D | 05-Oct-2021 | 1.2 KiB | 41 | 16 |
| nonpol.f | H A D | 05-Oct-2021 | 2.4 KiB | 60 | 24 |
| nose.f | H A D | 05-Oct-2021 | 7.8 KiB | 275 | 166 |
| nspline.f | H A D | 05-Oct-2021 | 2.5 KiB | 93 | 51 |
| nucleic.f | H A D | 05-Oct-2021 | 50.2 KiB | 1,443 | 1,141 |
| nucleo.f | H A D | 05-Oct-2021 | 1.3 KiB | 35 | 11 |
| number.f | H A D | 05-Oct-2021 | 2.6 KiB | 94 | 65 |
| numeral.f | H A D | 05-Oct-2021 | 6.4 KiB | 213 | 164 |
| numgrad.f | H A D | 05-Oct-2021 | 1.9 KiB | 69 | 42 |
| ocvm.f | H A D | 05-Oct-2021 | 17.5 KiB | 590 | 474 |
| omega.f | H A D | 05-Oct-2021 | 1 KiB | 29 | 8 |
| opbend.f | H A D | 05-Oct-2021 | 961 | 27 | 7 |
| opdist.f | H A D | 05-Oct-2021 | 951 | 27 | 7 |
| openend.f | H A D | 03-May-2022 | 1.7 KiB | 52 | 7 |
| openmp.f | H A D | 05-Oct-2021 | 804 | 25 | 6 |
| optimize.f | H A D | 05-Oct-2021 | 8 KiB | 290 | 188 |
| optinit.f | H A D | 05-Oct-2021 | 1.8 KiB | 63 | 34 |
| optirot.f | H A D | 05-Oct-2021 | 6.7 KiB | 239 | 137 |
| optrigid.f | H A D | 05-Oct-2021 | 6.7 KiB | 247 | 149 |
| optsave.f | H A D | 05-Oct-2021 | 6.7 KiB | 224 | 176 |
| orbital.f | H A D | 05-Oct-2021 | 11 KiB | 387 | 279 |
| orbits.f | H A D | 05-Oct-2021 | 944 | 27 | 7 |
| orient.f | H A D | 05-Oct-2021 | 12 KiB | 423 | 271 |
| orthog.f | H A D | 05-Oct-2021 | 1.5 KiB | 56 | 27 |
| output.f | H A D | 05-Oct-2021 | 1.3 KiB | 37 | 12 |
| overlap.f | H A D | 05-Oct-2021 | 12.7 KiB | 449 | 295 |
| params.f | H A D | 05-Oct-2021 | 950 | 29 | 8 |
| path.f | H A D | 05-Oct-2021 | 11.6 KiB | 458 | 281 |
| paths.f | H A D | 05-Oct-2021 | 1.3 KiB | 37 | 12 |
| pbstuf.f | H A D | 05-Oct-2021 | 4.1 KiB | 105 | 29 |
| pdb.f | H A D | 05-Oct-2021 | 2.3 KiB | 54 | 20 |
| pdbxyz.f | H A D | 05-Oct-2021 | 82.4 KiB | 2,302 | 1,849 |
| phipsi.f | H A D | 05-Oct-2021 | 1.2 KiB | 34 | 11 |
| picalc.f | H A D | 05-Oct-2021 | 25 KiB | 829 | 584 |
| piorbs.f | H A D | 05-Oct-2021 | 2 KiB | 49 | 18 |
| pistuf.f | H A D | 05-Oct-2021 | 1.2 KiB | 31 | 9 |
| pitors.f | H A D | 05-Oct-2021 | 958 | 27 | 7 |
| pme.f | H A D | 05-Oct-2021 | 2.6 KiB | 59 | 19 |
| pmestuf.f | H A D | 05-Oct-2021 | 57.2 KiB | 1,825 | 1,259 |
| pmpb.f | H A D | 05-Oct-2021 | 4.2 KiB | 165 | 84 |
| polar.f | H A D | 05-Oct-2021 | 2.3 KiB | 53 | 20 |
| polarize.f | H A D | 05-Oct-2021 | 13.6 KiB | 455 | 357 |
| poledit.f | H A D | 05-Oct-2021 | 137.6 KiB | 4,487 | 3,733 |
| polgrp.f | H A D | 05-Oct-2021 | 1.9 KiB | 48 | 18 |
| polopt.f | H A D | 05-Oct-2021 | 1.8 KiB | 45 | 16 |
| polpcg.f | H A D | 05-Oct-2021 | 1.1 KiB | 31 | 9 |
| polpot.f | H A D | 05-Oct-2021 | 3 KiB | 67 | 22 |
| poltcg.f | H A D | 05-Oct-2021 | 1.4 KiB | 37 | 12 |
| polymer.f | H A D | 05-Oct-2021 | 3.6 KiB | 128 | 90 |
| potent.f | H A D | 05-Oct-2021 | 3.4 KiB | 69 | 20 |
| potential.f | H A D | 05-Oct-2021 | 68.6 KiB | 2,291 | 1,813 |
| potfit.f | H A D | 05-Oct-2021 | 3.6 KiB | 80 | 32 |
| predict.f | H A D | 05-Oct-2021 | 6.6 KiB | 235 | 155 |
| pressure.f | H A D | 05-Oct-2021 | 25.3 KiB | 767 | 583 |
| prmedit.f | H A D | 05-Oct-2021 | 61.5 KiB | 1,884 | 1,737 |
| prmkey.f | H A D | 05-Oct-2021 | 22.4 KiB | 542 | 448 |
| promo.f | H A D | 05-Oct-2021 | 1.5 KiB | 44 | 21 |
| protein.f | H A D | 05-Oct-2021 | 58.9 KiB | 1,580 | 1,178 |
| prtdyn.f | H A D | 05-Oct-2021 | 4.2 KiB | 140 | 102 |
| prterr.f | H A D | 05-Oct-2021 | 1.3 KiB | 43 | 20 |
| prtint.f | H A D | 05-Oct-2021 | 3.4 KiB | 122 | 78 |
| prtmol2.f | H A D | 05-Oct-2021 | 21 KiB | 670 | 542 |
| prtpdb.f | H A D | 05-Oct-2021 | 5.4 KiB | 184 | 121 |
| prtprm.f | H A D | 05-Oct-2021 | 45.1 KiB | 1,328 | 1,137 |
| prtseq.f | H A D | 05-Oct-2021 | 1.9 KiB | 65 | 35 |
| prtxyz.f | H A D | 05-Oct-2021 | 2.9 KiB | 107 | 69 |
| pss.f | H A D | 05-Oct-2021 | 31 KiB | 1,106 | 757 |
| pssrigid.f | H A D | 05-Oct-2021 | 17.7 KiB | 655 | 437 |
| pssrot.f | H A D | 05-Oct-2021 | 15.9 KiB | 581 | 367 |
| ptable.f | H A D | 05-Oct-2021 | 1.1 KiB | 33 | 10 |
| qmstuf.f | H A D | 05-Oct-2021 | 1.4 KiB | 37 | 12 |
| qrsolve.f | H A D | 05-Oct-2021 | 9.8 KiB | 300 | 166 |
| quatfit.f | H A D | 05-Oct-2021 | 3.5 KiB | 115 | 71 |
| radial.f | H A D | 05-Oct-2021 | 11 KiB | 373 | 284 |
| random.f | H A D | 05-Oct-2021 | 8.2 KiB | 292 | 157 |
| rattle.f | H A D | 05-Oct-2021 | 19.2 KiB | 664 | 495 |
| readdyn.f | H A D | 05-Oct-2021 | 4.6 KiB | 166 | 122 |
| readgau.f | H A D | 05-Oct-2021 | 11 KiB | 337 | 273 |
| readgdma.f | H A D | 05-Oct-2021 | 12.7 KiB | 407 | 293 |
| readint.f | H A D | 05-Oct-2021 | 4.7 KiB | 178 | 128 |
| readmol.f | H A D | 05-Oct-2021 | 3.2 KiB | 122 | 78 |
| readmol2.f | H A D | 05-Oct-2021 | 4.8 KiB | 172 | 128 |
| readpdb.f | H A D | 05-Oct-2021 | 42.6 KiB | 1,216 | 970 |
| readprm.f | H A D | 05-Oct-2021 | 58.1 KiB | 1,958 | 1,711 |
| readseq.f | H A D | 05-Oct-2021 | 4.1 KiB | 145 | 108 |
| readxyz.f | H A D | 05-Oct-2021 | 6.9 KiB | 255 | 190 |
| refer.f | H A D | 05-Oct-2021 | 2.4 KiB | 58 | 23 |
| repel.f | H A D | 05-Oct-2021 | 1.1 KiB | 29 | 8 |
| replica.f | H A D | 05-Oct-2021 | 4.3 KiB | 149 | 101 |
| reppot.f | H A D | 05-Oct-2021 | 1.1 KiB | 31 | 9 |
| resdue.f | H A D | 05-Oct-2021 | 4.9 KiB | 114 | 51 |
| respa.f | H A D | 05-Oct-2021 | 11 KiB | 396 | 251 |
| restrn.f | H A D | 05-Oct-2021 | 3.2 KiB | 75 | 31 |
| rgddyn.f | H A D | 05-Oct-2021 | 1.5 KiB | 39 | 13 |
| rgdstep.f | H A D | 05-Oct-2021 | 12.6 KiB | 433 | 300 |
| rigid.f | H A D | 05-Oct-2021 | 1.1 KiB | 31 | 9 |
| ring.f | H A D | 05-Oct-2021 | 1.5 KiB | 41 | 14 |
| rings.f | H A D | 05-Oct-2021 | 15.3 KiB | 446 | 377 |
| rmsfit.f | H A D | 05-Oct-2021 | 1.3 KiB | 49 | 27 |
| rotbnd.f | H A D | 05-Oct-2021 | 939 | 27 | 7 |
| rotlist.f | H A D | 05-Oct-2021 | 5 KiB | 184 | 128 |
| rotpole.f | H A D | 05-Oct-2021 | 14.5 KiB | 506 | 341 |
| rxnfld.f | H A D | 05-Oct-2021 | 887 | 27 | 7 |
| rxnpot.f | H A D | 05-Oct-2021 | 933 | 27 | 7 |
| saddle.f | H A D | 05-Oct-2021 | 31.7 KiB | 1,156 | 844 |
| scales.f | H A D | 05-Oct-2021 | 859 | 25 | 6 |
| scan.f | H A D | 05-Oct-2021 | 19.6 KiB | 711 | 451 |
| sdstep.f | H A D | 05-Oct-2021 | 11.4 KiB | 382 | 238 |
| search.f | H A D | 05-Oct-2021 | 9.9 KiB | 349 | 224 |
| sequen.f | H A D | 05-Oct-2021 | 1.3 KiB | 36 | 12 |
| server.f | H A D | 05-Oct-2021 | 9.7 KiB | 453 | 172 |
| shakeup.f | H A D | 05-Oct-2021 | 14.6 KiB | 453 | 358 |
| shunt.f | H A D | 05-Oct-2021 | 1.9 KiB | 45 | 10 |
| sigmoid.f | H A D | 05-Oct-2021 | 1.4 KiB | 42 | 17 |
| simplex.f | H A D | 05-Oct-2021 | 10 KiB | 358 | 259 |
| sizes.f | H A D | 05-Oct-2021 | 1.7 KiB | 50 | 18 |
| sktstuf.f | H A D | 05-Oct-2021 | 9.7 KiB | 394 | 237 |
| sniffer.f | H A D | 05-Oct-2021 | 12.8 KiB | 473 | 308 |
| socket.f | H A D | 05-Oct-2021 | 1.2 KiB | 35 | 11 |
| solpot.f | H A D | 05-Oct-2021 | 849 | 25 | 6 |
| solute.f | H A D | 05-Oct-2021 | 2.8 KiB | 62 | 22 |
| sort.f | H A D | 05-Oct-2021 | 17.2 KiB | 658 | 458 |
| spacefill.f | H A D | 05-Oct-2021 | 6.2 KiB | 220 | 148 |
| spectrum.f | H A D | 05-Oct-2021 | 4.2 KiB | 155 | 99 |
| square.f | H A D | 05-Oct-2021 | 35.7 KiB | 1,133 | 738 |
| stodyn.f | H A D | 05-Oct-2021 | 948 | 27 | 7 |
| strbnd.f | H A D | 05-Oct-2021 | 919 | 27 | 7 |
| strtor.f | H A D | 05-Oct-2021 | 953 | 27 | 7 |
| suffix.f | H A D | 05-Oct-2021 | 2 KiB | 66 | 36 |
| superpose.f | H A D | 05-Oct-2021 | 16.8 KiB | 580 | 481 |
| surface.f | H A D | 05-Oct-2021 | 37.9 KiB | 1,266 | 933 |
| surfatom.f | H A D | 05-Oct-2021 | 30.4 KiB | 1,079 | 839 |
| switch.f | H A D | 05-Oct-2021 | 4.6 KiB | 151 | 113 |
| syntrn.f | H A D | 05-Oct-2021 | 1.1 KiB | 31 | 9 |
| tarray.f | H A D | 05-Oct-2021 | 996 | 27 | 7 |
| tcgstuf.f | H A D | 05-Oct-2021 | 23.9 KiB | 862 | 491 |
| temper.f | H A D | 05-Oct-2021 | 12 KiB | 371 | 283 |
| testgrad.f | H A D | 05-Oct-2021 | 28.5 KiB | 731 | 641 |
| testhess.f | H A D | 05-Oct-2021 | 17.2 KiB | 506 | 419 |
| testpair.f | H A D | 05-Oct-2021 | 21.7 KiB | 681 | 565 |
| testpol.f | H A D | 05-Oct-2021 | 15.6 KiB | 567 | 433 |
| testrot.f | H A D | 05-Oct-2021 | 14.5 KiB | 370 | 304 |
| testvir.f | H A D | 05-Oct-2021 | 7.7 KiB | 256 | 143 |
| timer.f | H A D | 05-Oct-2021 | 5.5 KiB | 200 | 137 |
| timerot.f | H A D | 05-Oct-2021 | 5.1 KiB | 189 | 122 |
| titles.f | H A D | 05-Oct-2021 | 819 | 25 | 6 |
| tncg.f | H A D | 05-Oct-2021 | 31.1 KiB | 992 | 704 |
| torphase.f | H A D | 05-Oct-2021 | 1.6 KiB | 59 | 30 |
| torpot.f | H A D | 05-Oct-2021 | 1.2 KiB | 35 | 11 |
| torque.f | H A D | 05-Oct-2021 | 13.3 KiB | 392 | 315 |
| tors.f | H A D | 05-Oct-2021 | 1.4 KiB | 37 | 12 |
| torsfit.f | H A D | 05-Oct-2021 | 32.3 KiB | 1,160 | 892 |
| torsions.f | H A D | 05-Oct-2021 | 2 KiB | 67 | 41 |
| tortor.f | H A D | 05-Oct-2021 | 848 | 25 | 6 |
| tree.f | H A D | 05-Oct-2021 | 1,020 | 31 | 9 |
| trimtext.f | H A D | 05-Oct-2021 | 5.6 KiB | 209 | 109 |
| unitcell.f | H A D | 05-Oct-2021 | 4.4 KiB | 135 | 94 |
| units.f | H A D | 05-Oct-2021 | 4 KiB | 98 | 33 |
| uprior.f | H A D | 05-Oct-2021 | 2.1 KiB | 53 | 20 |
| urey.f | H A D | 05-Oct-2021 | 1 KiB | 29 | 8 |
| urypot.f | H A D | 05-Oct-2021 | 897 | 27 | 7 |
| usage.f | H A D | 05-Oct-2021 | 940 | 27 | 7 |
| valence.f | H A D | 05-Oct-2021 | 109.6 KiB | 3,796 | 3,245 |
| valfit.f | H A D | 05-Oct-2021 | 1.3 KiB | 33 | 8 |
| vdw.f | H A D | 05-Oct-2021 | 2.1 KiB | 49 | 18 |
| vdwpot.f | H A D | 05-Oct-2021 | 2.3 KiB | 54 | 18 |
| verlet.f | H A D | 05-Oct-2021 | 4.1 KiB | 151 | 87 |
| version.f | H A D | 05-Oct-2021 | 3.4 KiB | 105 | 67 |
| vibbig.f | H A D | 05-Oct-2021 | 55.4 KiB | 2,146 | 1,427 |
| vibrate.f | H A D | 05-Oct-2021 | 10 KiB | 358 | 269 |
| vibrot.f | H A D | 05-Oct-2021 | 2.8 KiB | 103 | 50 |
| vibs.f | H A D | 05-Oct-2021 | 992 | 27 | 7 |
| virial.f | H A D | 05-Oct-2021 | 839 | 25 | 6 |
| volume.f | H A D | 05-Oct-2021 | 32.4 KiB | 973 | 724 |
| warp.f | H A D | 05-Oct-2021 | 1.5 KiB | 41 | 14 |
| xtalfit.f | H A D | 05-Oct-2021 | 29 KiB | 966 | 748 |
| xtalmin.f | H A D | 05-Oct-2021 | 17.9 KiB | 540 | 401 |
| xtals.f | H A D | 05-Oct-2021 | 1.5 KiB | 42 | 14 |
| xyzatm.f | H A D | 05-Oct-2021 | 5.9 KiB | 191 | 153 |
| xyzedit.f | H A D | 05-Oct-2021 | 59.9 KiB | 2,135 | 1,743 |
| xyzint.f | H A D | 05-Oct-2021 | 2.6 KiB | 93 | 58 |
| xyzmol2.f | H A D | 05-Oct-2021 | 1.6 KiB | 60 | 25 |
| xyzpdb.f | H A D | 05-Oct-2021 | 65.7 KiB | 1,987 | 1,515 |
| zatom.f | H A D | 05-Oct-2021 | 4.8 KiB | 169 | 130 |
| zclose.f | H A D | 05-Oct-2021 | 992 | 29 | 8 |
| zcoord.f | H A D | 05-Oct-2021 | 1,013 | 30 | 9 |
0README
1
2 #######################################
3 SOURCE Directory for the Tinker Package
4 #######################################
5
6 This directory contains Fortran source code for the current
7 version of the Tinker program package.
8
9 The code is in a standard Fortran dialect that should compile
10 unchanged on most machines. Script files to build the package
11 on a variety of systems are in subdirectories named for the
12 machine/operating system. A Makefile is also provided.
13
14 Only a few source files may require editing prior to building:
15 "sizes.f" which contains some master array dimensions used
16 throughout the package, and "openend.f" which is a system
17 dependent routine to open a file at the end.
18
19 If you are building an OpenMP-capable version of Tinker with
20 the Intel Fortran compiler, then it is necessary to uncomment
21 the calls to Intel-specific extensions "kmp_set_stacksize_s"
22 and "kmp_set_blocksize" near the top of the file "initial.f".
23
24 In addition, if your system does not support the iargc/getarg
25 mechanism for command line arguments, then comment out the
26 call to the subroutine "command" at the bottom of "initial.f".
27
28